N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C19H29N3O3 — CID 45242609

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H29N3O3/c1-13-17(14(2)25-21-13)8-9-18(23)20-16-10-19(24)22(12-16)11-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyRVIIVIIYGGRMIH-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 45242609) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID45242609
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H29N3O3/c1-13-17(14(2)25-21-13)8-9-18(23)20-16-10-19(24)22(12-16)11-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyRVIIVIIYGGRMIH-UHFFFAOYSA-N
XLogP2.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 45242609) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NC1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is RVIIVIIYGGRMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-17(14(2)25-21-13)8-9-18(23)20-16-10-19(24)22(12-16)11-15-6-4-3-5-7-15/h15-16H,3-12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.52, 6 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-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 45242609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).