3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide

C17H23N5O4 — CID 92632233

IUPAC3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C17H23N5O4/c1-3-14-16(11(2)26-21-14)17(24)20-12-7-19-22(9-12)10-15(23)18-8-13-5-4-6-25-13/h7,9,13H,3-6,8,10H2,1-2H3,(H,18,23)(H,20,24)/t13-/m1/s1
InChIKeyAVNOKGKHKXUXKE-CYBMUJFWSA-N
MW361.40 g/mol
LogP1.29
Rot. Bonds7

About 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide (PubChem CID 92632233) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
PubChem CID92632233
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C17H23N5O4/c1-3-14-16(11(2)26-21-14)17(24)20-12-7-19-22(9-12)10-15(23)18-8-13-5-4-6-25-13/h7,9,13H,3-6,8,10H2,1-2H3,(H,18,23)(H,20,24)/t13-/m1/s1
InChIKeyAVNOKGKHKXUXKE-CYBMUJFWSA-N
XLogP1.29
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 92632097
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 82836260
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide
CID 136578250
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520366
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520362
2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62401850

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide (CID 92632233) is 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cnn(CC(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is AVNOKGKHKXUXKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-3-14-16(11(2)26-21-14)17(24)20-12-7-19-22(9-12)10-15(23)18-8-13-5-4-6-25-13/h7,9,13H,3-6,8,10H2,1-2H3,(H,18,23)(H,20,24)/t13-/m1/s1.
What are the key properties of 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92632233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).