(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H22N4O2 — CID 95200527

IUPAC(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(C(C)C)=NO1)nn2C
InChIInChI=1S/C17H22N4O2/c1-10(2)13-8-16(23-20-13)17(22)18-9-14-12-7-11(3)5-6-15(12)21(4)19-14/h5-7,10,16H,8-9H2,1-4H3,(H,18,22)/t16-/m0/s1
InChIKeyDXQKSZYQCDSHAK-INIZCTEOSA-N
MW314.39 g/mol
LogP2.30
Rot. Bonds4

About (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95200527) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95200527
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(C(C)C)=NO1)nn2C
InChIInChI=1S/C17H22N4O2/c1-10(2)13-8-16(23-20-13)17(22)18-9-14-12-7-11(3)5-6-15(12)21(4)19-14/h5-7,10,16H,8-9H2,1-4H3,(H,18,22)/t16-/m0/s1
InChIKeyDXQKSZYQCDSHAK-INIZCTEOSA-N
XLogP2.30
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 122563829
1-(cyclopropanecarbonyl)-N-[(1,5-dimethylindazol-3-yl)methyl]piperidine-4-carboxamide
CID 72852922
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775694
(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97118436
N-[(1,5-dimethylindazol-3-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122558835
N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157017185
N-[(1,5-dimethylindazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91782573
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
N-[(1,5-dimethylindazol-3-yl)methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125176476
1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea
CID 125443471
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95217301

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95200527) is (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(C(C)C)=NO1)nn2C.
What is the InChIKey of (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DXQKSZYQCDSHAK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10(2)13-8-16(23-20-13)17(22)18-9-14-12-7-11(3)5-6-15(12)21(4)19-14/h5-7,10,16H,8-9H2,1-4H3,(H,18,22)/t16-/m0/s1.
What are the key properties of (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(1,5-dimethylindazol-3-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95200527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).