(1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

C34H32ClFN8O5 — CID 172636567

IUPAC(1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCC1C(C(=O)N[C@H]2CCC[C@@H](C)C(=O)Nc3cc(NC(=O)ONCc4ccon4)ccc3-c3ccnc2c3)=NN=C1c1cccc(Cl)c1F
InChIInChI=1S/C34H32ClFN8O5/c1-18-5-3-8-26(40-33(46)31-19(2)30(42-43-31)24-6-4-7-25(35)29(24)36)28-15-20(11-13-37-28)23-10-9-21(16-27(23)41-32(18)45)39-34(47)49-38-17-22-12-14-48-44-22/h4,6-7,9-16,18-19,26,38H,3,5,8,17H2,1-2H3,(H,39,47)(H,40,46)(H,41,45)/t18-,19?,26+/m1/s1
InChIKeyYHLZYRLLBVNREC-UNNMGCIKSA-N
MW687.13 g/mol
LogP6.19
Rot. Bonds7

About (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

(1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (PubChem CID 172636567) has the molecular formula C34H32ClFN8O5 and a molecular weight of 687.13 g/mol. Its IUPAC name is (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.

Molecular Properties

Compound Name(1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
PubChem CID172636567
Molecular FormulaC34H32ClFN8O5
Molecular Weight687.13 g/mol
Exact Mass686.22
IUPAC Name(1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCC1C(C(=O)N[C@H]2CCC[C@@H](C)C(=O)Nc3cc(NC(=O)ONCc4ccon4)ccc3-c3ccnc2c3)=NN=C1c1cccc(Cl)c1F
InChIInChI=1S/C34H32ClFN8O5/c1-18-5-3-8-26(40-33(46)31-19(2)30(42-43-31)24-6-4-7-25(35)29(24)36)28-15-20(11-13-37-28)23-10-9-21(16-27(23)41-32(18)45)39-34(47)49-38-17-22-12-14-48-44-22/h4,6-7,9-16,18-19,26,38H,3,5,8,17H2,1-2H3,(H,39,47)(H,40,46)(H,41,45)/t18-,19?,26+/m1/s1
InChIKeyYHLZYRLLBVNREC-UNNMGCIKSA-N
XLogP6.19
TPSA172.20 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.13
LogP ≤ 56.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The IUPAC name of (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (CID 172636567) is (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.
What is the SMILES notation for (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The canonical SMILES for (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is CC1C(C(=O)N[C@H]2CCC[C@@H](C)C(=O)Nc3cc(NC(=O)ONCc4ccon4)ccc3-c3ccnc2c3)=NN=C1c1cccc(Cl)c1F.
What is the InChIKey of (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The InChIKey is YHLZYRLLBVNREC-UNNMGCIKSA-N. The full InChI is InChI=1S/C34H32ClFN8O5/c1-18-5-3-8-26(40-33(46)31-19(2)30(42-43-31)24-6-4-7-25(35)29(24)36)28-15-20(11-13-37-28)23-10-9-21(16-27(23)41-32(18)45)39-34(47)49-38-17-22-12-14-48-44-22/h4,6-7,9-16,18-19,26,38H,3,5,8,17H2,1-2H3,(H,39,47)(H,40,46)(H,41,45)/t18-,19?,26+/m1/s1.
What are the key properties of (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
(1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate has a molecular weight of 687.13 g/mol, XLogP of 6.19, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-oxazol-3-ylmethylamino) N-[(10R,14S)-14-[[5-(3-chloro-2-fluorophenyl)-4-methyl-4H-pyrazole-3-carbonyl]amino]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is sourced from PubChem (CID 172636567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).