5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide

C14H17N3O3S — CID 2823779

IUPAC5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)NC(=O)c2ccc(C(C)(C)C)s2)no1
InChIInChI=1S/C14H17N3O3S/c1-8-7-11(17-20-8)15-13(19)16-12(18)9-5-6-10(21-9)14(2,3)4/h5-7H,1-4H3,(H2,15,16,17,18,19)
InChIKeyIRTLBVRTIDSFLO-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.30
Rot. Bonds2

About 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide

5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide (PubChem CID 2823779) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
PubChem CID2823779
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)NC(=O)c2ccc(C(C)(C)C)s2)no1
InChIInChI=1S/C14H17N3O3S/c1-8-7-11(17-20-8)15-13(19)16-12(18)9-5-6-10(21-9)14(2,3)4/h5-7H,1-4H3,(H2,15,16,17,18,19)
InChIKeyIRTLBVRTIDSFLO-UHFFFAOYSA-N
XLogP3.30
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
CID 110866692
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18283297
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
CID 108909931
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
4-(dimethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6502660
5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 2741497
2-methyl-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62836911
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-(5-tert-butylthiophen-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 81498798

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide (CID 2823779) is 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide is Cc1cc(NC(=O)NC(=O)c2ccc(C(C)(C)C)s2)no1.
What is the InChIKey of 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide?
The InChIKey is IRTLBVRTIDSFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-7-11(17-20-8)15-13(19)16-12(18)9-5-6-10(21-9)14(2,3)4/h5-7H,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide?
5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 2823779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).