3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C16H19N5O2 — CID 51089837

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(Cc3cnn(C)c3)C(C)C)cc12
InChIInChI=1S/C16H19N5O2/c1-10(2)21(9-12-6-18-20(4)8-12)16(22)13-5-14-11(3)19-23-15(14)17-7-13/h5-8,10H,9H2,1-4H3
InChIKeyGIJRZMJAZXVGAW-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.32
Rot. Bonds4

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 51089837) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID51089837
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(Cc3cnn(C)c3)C(C)C)cc12
InChIInChI=1S/C16H19N5O2/c1-10(2)21(9-12-6-18-20(4)8-12)16(22)13-5-14-11(3)19-23-15(14)17-7-13/h5-8,10H,9H2,1-4H3
InChIKeyGIJRZMJAZXVGAW-UHFFFAOYSA-N
XLogP2.32
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 60540359
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 56684520
2-(3-methyl-1,2-oxazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 56743144
5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 55978226
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
N-[(1-methylpyrazol-4-yl)methyl]-4-oxo-4-phenyl-N-propan-2-ylbutanamide
CID 51090804
2-(2-bromo-4,5-diethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 55903930
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 107832863
(5R)-N-[(1-methylpyrazol-4-yl)methyl]-N,3-di(propan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95200317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 51089837) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)N(Cc3cnn(C)c3)C(C)C)cc12.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GIJRZMJAZXVGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)21(9-12-6-18-20(4)8-12)16(22)13-5-14-11(3)19-23-15(14)17-7-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 51089837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).