N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide

C18H27N3O3 — CID 145039953

IUPACN-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)NC1CCC(N(C)C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-4-17(22)19-13-7-9-14(10-8-13)21(2)18(23)15-11-16(24-20-15)12-5-6-12/h11-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyOJSFBXNKXQQNRG-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.85
Rot. Bonds6

About N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide

N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 145039953) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID145039953
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)NC1CCC(N(C)C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C18H27N3O3/c1-3-4-17(22)19-13-7-9-14(10-8-13)21(2)18(23)15-11-16(24-20-15)12-5-6-12/h11-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyOJSFBXNKXQQNRG-UHFFFAOYSA-N
XLogP2.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]butanamide
CID 145039927
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
N-cyclohexyl-5-cyclopropyl-N-(4-propylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56973396
N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 159213824
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 55026114
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981
5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 115771332
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55152096
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide;5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145039908
4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide
CID 166370022

Frequently Asked Questions

What is the IUPAC name of N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide (CID 145039953) is N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide is CCCC(=O)NC1CCC(N(C)C(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is OJSFBXNKXQQNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-4-17(22)19-13-7-9-14(10-8-13)21(2)18(23)15-11-16(24-20-15)12-5-6-12/h11-14H,3-10H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide?
N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145039953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).