2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide

C14H17ClN2O2S — CID 167870405

IUPAC2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide
SMILESCc1csc(Cl)c1C(=O)Nc1cc(CC(C)(C)C)on1
InChIInChI=1S/C14H17ClN2O2S/c1-8-7-20-12(15)11(8)13(18)16-10-5-9(19-17-10)6-14(2,3)4/h5,7H,6H2,1-4H3,(H,16,17,18)
InChIKeyDDZGBPBUDMYDPG-UHFFFAOYSA-N
MW312.82 g/mol
LogP4.54
Rot. Bonds3

About 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide

2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide (PubChem CID 167870405) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide
PubChem CID167870405
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide
SMILESCc1csc(Cl)c1C(=O)Nc1cc(CC(C)(C)C)on1
InChIInChI=1S/C14H17ClN2O2S/c1-8-7-20-12(15)11(8)13(18)16-10-5-9(19-17-10)6-14(2,3)4/h5,7H,6H2,1-4H3,(H,16,17,18)
InChIKeyDDZGBPBUDMYDPG-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methoxy-4-methylthiophene-3-carboxamide
CID 126990720
2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide
CID 130610634
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110651485
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide
CID 137372326
N-(5-ethyl-1,2-oxazol-3-yl)acetamide
CID 70556481
ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697573
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372046
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 110865581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide (CID 167870405) is 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide is Cc1csc(Cl)c1C(=O)Nc1cc(CC(C)(C)C)on1.
What is the InChIKey of 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide?
The InChIKey is DDZGBPBUDMYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-8-7-20-12(15)11(8)13(18)16-10-5-9(19-17-10)6-14(2,3)4/h5,7H,6H2,1-4H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide?
2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 167870405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).