(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C20H22N4O3 — CID 125128055

IUPAC(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1cc2n(n1)C[C@H](c1ccccc1)OC2
InChIInChI=1S/C20H22N4O3/c1-13-17(14(2)27-23-13)8-9-21-20(25)18-10-16-12-26-19(11-24(16)22-18)15-6-4-3-5-7-15/h3-7,10,19H,8-9,11-12H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyRLBLGIIIFLDUBP-LJQANCHMSA-N
MW366.42 g/mol
LogP2.73
Rot. Bonds5

About (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 125128055) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID125128055
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1noc(C)c1CCNC(=O)c1cc2n(n1)C[C@H](c1ccccc1)OC2
InChIInChI=1S/C20H22N4O3/c1-13-17(14(2)27-23-13)8-9-21-20(25)18-10-16-12-26-19(11-24(16)22-18)15-6-4-3-5-7-15/h3-7,10,19H,8-9,11-12H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyRLBLGIIIFLDUBP-LJQANCHMSA-N
XLogP2.73
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
CID 125128651
(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127222
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
(6R)-6-(4-bromophenyl)-N-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745232
6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91894491
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
(6S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127965
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
(6S)-6-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99738797
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 125128055) is (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is Cc1noc(C)c1CCNC(=O)c1cc2n(n1)C[C@H](c1ccccc1)OC2.
What is the InChIKey of (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is RLBLGIIIFLDUBP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-17(14(2)27-23-13)8-9-21-20(25)18-10-16-12-26-19(11-24(16)22-18)15-6-4-3-5-7-15/h3-7,10,19H,8-9,11-12H2,1-2H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 125128055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).