N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide

C17H18N4O2 — CID 126432960

IUPACN-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C[C@@H](C)NC(=O)c2conc2-c2ccccc2)n[nH]1
InChIInChI=1S/C17H18N4O2/c1-11(8-14-9-12(2)19-20-14)18-17(22)15-10-23-21-16(15)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,18,22)(H,19,20)/t11-/m1/s1
InChIKeyNAUKSHSYFOVDKM-LLVKDONJSA-N
MW310.36 g/mol
LogP2.73
Rot. Bonds5

About N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide

N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 126432960) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID126432960
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C[C@@H](C)NC(=O)c2conc2-c2ccccc2)n[nH]1
InChIInChI=1S/C17H18N4O2/c1-11(8-14-9-12(2)19-20-14)18-17(22)15-10-23-21-16(15)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,18,22)(H,19,20)/t11-/m1/s1
InChIKeyNAUKSHSYFOVDKM-LLVKDONJSA-N
XLogP2.73
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 92414295
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 136766072
[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 136766118
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 172436043
3-(2,6-difluorophenyl)-5-[(3-ethyl-5-methylisoxazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 31104995
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]propanamide
CID 49669605
5-{(E)-2-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]vinyl}-2H-pyrazole-3-carboxylic acid (2-hydroxy-2-methyl-propyl)-amide
CID 59568398
5-{(E)-2-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]-vinyl}-2H-pyrazole-3-carboxylic acid isopropylamide
CID 59568400
(5-{(E)-2-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]vinyl}-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 59568410
5-{(E)-2-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]vinyl}-2H-pyrazole-3-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 59568425
(5-{(E)-2-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]vinyl}-2H-pyrazol-3-yl)-(2-oxa-6-aza-spiro[3.3]hept-6-yl)-methanone
CID 59568437
5-{(E)-2-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]-vinyl}-2H-pyrazole-3-carboxylic acid (2-hydroxy-1-methyl-ethyl)-amide
CID 59568443

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 126432960) is N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cc(C[C@@H](C)NC(=O)c2conc2-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NAUKSHSYFOVDKM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(8-14-9-12(2)19-20-14)18-17(22)15-10-23-21-16(15)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,18,22)(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126432960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).