3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide

C15H25ClN2O3 — CID 109380881

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
SMILESCc1noc(Cl)c1CCC(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C15H25ClN2O3/c1-9(2)13(20)15(4,5)8-17-12(19)7-6-11-10(3)18-21-14(11)16/h9,13,20H,6-8H2,1-5H3,(H,17,19)
InChIKeyPJLRTLIEAWOJDD-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.73
Rot. Bonds7

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide (PubChem CID 109380881) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
PubChem CID109380881
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
SMILESCc1noc(Cl)c1CCC(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C15H25ClN2O3/c1-9(2)13(20)15(4,5)8-17-12(19)7-6-11-10(3)18-21-14(11)16/h9,13,20H,6-8H2,1-5H3,(H,17,19)
InChIKeyPJLRTLIEAWOJDD-UHFFFAOYSA-N
XLogP2.73
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119429962
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109390007
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,5-dimethylhexyl)acetamide
CID 111485507
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1,1-diphenylpropan-2-yl]propanamide
CID 52909110
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propanamide;hydrochloride
CID 119547677
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461266
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95165188
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide (CID 109380881) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide is Cc1noc(Cl)c1CCC(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide?
The InChIKey is PJLRTLIEAWOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3/c1-9(2)13(20)15(4,5)8-17-12(19)7-6-11-10(3)18-21-14(11)16/h9,13,20H,6-8H2,1-5H3,(H,17,19).
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide is sourced from PubChem (CID 109380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).