2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide

C15H22ClN3O3 — CID 42771670

IUPAC2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
SMILESCC(Cl)C(=O)N(CC(=O)Nc1ccon1)CC1CCCCC1
InChIInChI=1S/C15H22ClN3O3/c1-11(16)15(21)19(9-12-5-3-2-4-6-12)10-14(20)17-13-7-8-22-18-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,18,20)
InChIKeyNYINPSJLNQGVJG-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.65
Rot. Bonds6

About 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide

2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide (PubChem CID 42771670) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
PubChem CID42771670
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
SMILESCC(Cl)C(=O)N(CC(=O)Nc1ccon1)CC1CCCCC1
InChIInChI=1S/C15H22ClN3O3/c1-11(16)15(21)19(9-12-5-3-2-4-6-12)10-14(20)17-13-7-8-22-18-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,18,20)
InChIKeyNYINPSJLNQGVJG-UHFFFAOYSA-N
XLogP2.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexylmethyl(ethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 5054889
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 814669
N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 3517609
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 42769101
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42769112
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 813750
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
N-(cyclopropylmethyl)-3,5-difluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 808496
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42771678
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3957598
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide (CID 42771670) is 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide is CC(Cl)C(=O)N(CC(=O)Nc1ccon1)CC1CCCCC1.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
The InChIKey is NYINPSJLNQGVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-11(16)15(21)19(9-12-5-3-2-4-6-12)10-14(20)17-13-7-8-22-18-13/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,18,20).
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide has a molecular weight of 327.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 42771670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).