N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide

C19H28ClN3O3 — CID 154874854

IUPACN-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C2CCCC2)c1C(=O)NCC1(NC(=O)CCl)CCCCC1
InChIInChI=1S/C19H28ClN3O3/c1-13-16(17(23-26-13)14-7-3-4-8-14)18(25)21-12-19(22-15(24)11-20)9-5-2-6-10-19/h14H,2-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyFKJHGXOXLWYLGT-UHFFFAOYSA-N
MW381.90 g/mol
LogP3.43
Rot. Bonds6

About N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide

N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 154874854) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID154874854
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C2CCCC2)c1C(=O)NCC1(NC(=O)CCl)CCCCC1
InChIInChI=1S/C19H28ClN3O3/c1-13-16(17(23-26-13)14-7-3-4-8-14)18(25)21-12-19(22-15(24)11-20)9-5-2-6-10-19/h14H,2-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyFKJHGXOXLWYLGT-UHFFFAOYSA-N
XLogP3.43
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide (CID 154874854) is N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C2CCCC2)c1C(=O)NCC1(NC(=O)CCl)CCCCC1.
What is the InChIKey of N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FKJHGXOXLWYLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-13-16(17(23-26-13)14-7-3-4-8-14)18(25)21-12-19(22-15(24)11-20)9-5-2-6-10-19/h14H,2-12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 381.90 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154874854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).