N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

C19H20N4O2 — CID 56755690

IUPACN-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C19H20N4O2/c1-13-17(18(21-25-13)14-6-4-3-5-7-14)19(24)23(15-8-9-15)12-16-20-10-11-22(16)2/h3-7,10-11,15H,8-9,12H2,1-2H3
InChIKeyFSGARCCPKCHEDZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.19
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide

N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 56755690) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID56755690
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C19H20N4O2/c1-13-17(18(21-25-13)14-6-4-3-5-7-14)19(24)23(15-8-9-15)12-16-20-10-11-22(16)2/h3-7,10-11,15H,8-9,12H2,1-2H3
InChIKeyFSGARCCPKCHEDZ-UHFFFAOYSA-N
XLogP3.19
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US12331044, Example 59
CID 155925379
N-(3-imidazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962284
(1S)-1-[1-[[3-[4-[2-(1-aminocyclopropyl)ethynyl]phenyl]-1,2-oxazol-5-yl]methyl]imidazol-2-yl]ethanol
CID 153592953
N-[3-(1H-imidazol-1-yl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 2971764
(5,6-Dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 798239
(5-Methyl-3-phenylisoxazol-4-yl){4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2741611
5-(Imidazol-1-ylmethyl)-3-phenyl-1,2-oxazole
CID 137655303
1-[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 145982173
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094867
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanone
CID 2812701
N-[6-(acetylamino)-3-pyridinyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 2813211
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(2-pyridinyl)piperazino]methanone
CID 2813463

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 56755690) is N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is FSGARCCPKCHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-17(18(21-25-13)14-6-4-3-5-7-14)19(24)23(15-8-9-15)12-16-20-10-11-22(16)2/h3-7,10-11,15H,8-9,12H2,1-2H3.
What are the key properties of N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56755690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).