3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide

C14H16N2O2S — CID 71936542

IUPAC3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1sccc1C1CC1
InChIInChI=1S/C14H16N2O2S/c1-8-12(9(2)18-16-8)7-15-14(17)13-11(5-6-19-13)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyITCOMIOZVFLRPL-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.16
Rot. Bonds4

About 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide

3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 71936542) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID71936542
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1sccc1C1CC1
InChIInChI=1S/C14H16N2O2S/c1-8-12(9(2)18-16-8)7-15-14(17)13-11(5-6-19-13)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyITCOMIOZVFLRPL-UHFFFAOYSA-N
XLogP3.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
CID 120828095
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47864283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide (CID 71936542) is 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide is Cc1noc(C)c1CNC(=O)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ITCOMIOZVFLRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-12(9(2)18-16-8)7-15-14(17)13-11(5-6-19-13)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71936542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).