N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide

C14H18ClN3O2S — CID 119585912

IUPACN-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C14H18ClN3O2S/c1-8(2)5-9(7-16)17-14(19)10-6-11(20-18-10)12-3-4-13(15)21-12/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,19)
InChIKeyUTVPBYYBPLFVRX-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.16
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 119585912) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID119585912
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C14H18ClN3O2S/c1-8(2)5-9(7-16)17-14(19)10-6-11(20-18-10)12-3-4-13(15)21-12/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,19)
InChIKeyUTVPBYYBPLFVRX-UHFFFAOYSA-N
XLogP3.16
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 19582717
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 15998429
N3-(4-chlorophenyl)-5-(2-thienyl)isoxazole-3-carboxamide
CID 2745203
5-(4-methylphenyl)-N-(2-thienylmethyl)-3-isoxazolecarboxamide
CID 1093788
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
N-Isopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 2745205
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-cyclopentyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3242425
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
CID 3244595
N-(2-morpholin-4-ylethyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3244873
N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777443
5-cyclopropyl-N-(2-thenyl)isoxazole-3-carboxamide
CID 9550687

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide (CID 119585912) is N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide is CC(C)CC(CN)NC(=O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is UTVPBYYBPLFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-8(2)5-9(7-16)17-14(19)10-6-11(20-18-10)12-3-4-13(15)21-12/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 327.84 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119585912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).