ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

C17H16N4O4S — CID 121065632

IUPACethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(C)on2)s1
InChIInChI=1S/C17H16N4O4S/c1-3-24-17(23)20-16-18-13(11-7-5-4-6-8-11)15(26-16)19-14(22)12-9-10(2)25-21-12/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyHGYJVVAFQBDXJO-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.93
Rot. Bonds5

About ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065632) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065632
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Nameethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(C)on2)s1
InChIInChI=1S/C17H16N4O4S/c1-3-24-17(23)20-16-18-13(11-7-5-4-6-8-11)15(26-16)19-14(22)12-9-10(2)25-21-12/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyHGYJVVAFQBDXJO-UHFFFAOYSA-N
XLogP3.93
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065509
ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065544
ethyl N-[5-[(4-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065548
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
ethyl N-[5-[(4-methyl-3-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065550
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566735
N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 163347634
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
CID 154811058

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065632) is ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(C)on2)s1.
What is the InChIKey of ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is HGYJVVAFQBDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-3-24-17(23)20-16-18-13(11-7-5-4-6-8-11)15(26-16)19-14(22)12-9-10(2)25-21-12/h4-9H,3H2,1-2H3,(H,19,22)(H,18,20,23).
What are the key properties of ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 372.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).