N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C18H27N3O3 — CID 45215715

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H27N3O3/c1-3-15-17(12(2)24-20-15)18(23)19-14-9-16(22)21(11-14)10-13-7-5-4-6-8-13/h13-14H,3-11H2,1-2H3,(H,19,23)
InChIKeyNNCDGPWBPYOHKQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.46
Rot. Bonds5

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 45215715) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID45215715
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H27N3O3/c1-3-15-17(12(2)24-20-15)18(23)19-14-9-16(22)21(11-14)10-13-7-5-4-6-8-13/h13-14H,3-11H2,1-2H3,(H,19,23)
InChIKeyNNCDGPWBPYOHKQ-UHFFFAOYSA-N
XLogP2.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 45251623
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 56885981
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide
CID 45195973
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 42556906
N-[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173725

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 45215715) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NNCDGPWBPYOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-15-17(12(2)24-20-15)18(23)19-14-9-16(22)21(11-14)10-13-7-5-4-6-8-13/h13-14H,3-11H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45215715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).