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

C20H19N5O2S — CID 75470240

IUPACN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)no1
InChIInChI=1S/C20H19N5O2S/c1-12(2)15-11-14(24-27-15)19(26)23-20-22-16(13-7-5-4-6-8-13)17(28-20)18-21-9-10-25(18)3/h4-12H,1-3H3,(H,22,23,26)
InChIKeyPECVSBWTHMVZCH-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.57
Rot. Bonds5

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

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 75470240) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID75470240
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)no1
InChIInChI=1S/C20H19N5O2S/c1-12(2)15-11-14(24-27-15)19(26)23-20-22-16(13-7-5-4-6-8-13)17(28-20)18-21-9-10-25(18)3/h4-12H,1-3H3,(H,22,23,26)
InChIKeyPECVSBWTHMVZCH-UHFFFAOYSA-N
XLogP4.57
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55550118
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 55608043
2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55515066
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 55514296
2-(2-methoxyethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 56555673
2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 55514567
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 55938803
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
ethyl N-[3-methyl-1-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 56555834
N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55545312
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55515234

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 75470240) is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)no1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PECVSBWTHMVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12(2)15-11-14(24-27-15)19(26)23-20-22-16(13-7-5-4-6-8-13)17(28-20)18-21-9-10-25(18)3/h4-12H,1-3H3,(H,22,23,26).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75470240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).