N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C20H21N3O3S — CID 17173529

IUPACN-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(N)=O
InChIInChI=1S/C20H21N3O3S/c1-5-14-15(11(3)26-23-14)19(25)22-20-17(18(21)24)16(12(4)27-20)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyFLLZANGYBLKLDV-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.24
Rot. Bonds5

About N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17173529) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17173529
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(N)=O
InChIInChI=1S/C20H21N3O3S/c1-5-14-15(11(3)26-23-14)19(25)22-20-17(18(21)24)16(12(4)27-20)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyFLLZANGYBLKLDV-UHFFFAOYSA-N
XLogP4.24
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174214
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615998
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
N-[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173725
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357398
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55572668
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 4075749
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17173529) is N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(N)=O.
What is the InChIKey of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FLLZANGYBLKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-5-14-15(11(3)26-23-14)19(25)22-20-17(18(21)24)16(12(4)27-20)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3,(H2,21,24)(H,22,25).
What are the key properties of N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17173529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).