N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C15H19N3O3S — CID 17174214

IUPACN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C15H19N3O3S/c1-5-9-8(4)22-15(12(9)13(16)19)17-14(20)11-7(3)21-18-10(11)6-2/h5-6H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyAGFZFBVBBKZKKS-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.83
Rot. Bonds5

About N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17174214) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17174214
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C15H19N3O3S/c1-5-9-8(4)22-15(12(9)13(16)19)17-14(20)11-7(3)21-18-10(11)6-2/h5-6H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyAGFZFBVBBKZKKS-UHFFFAOYSA-N
XLogP2.83
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173725
N-[3-carbamoyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173529
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615998
2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 19685769
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 1222183
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 17173104
methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17174214) is N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AGFZFBVBBKZKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-5-9-8(4)22-15(12(9)13(16)19)17-14(20)11-7(3)21-18-10(11)6-2/h5-6H2,1-4H3,(H2,16,19)(H,17,20).
What are the key properties of N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17174214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).