N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide

C19H24N2O2 — CID 110649225

IUPACN-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
SMILESCc1nc(-c2ccccc2)oc1CC(=O)NC1CCCCCC1
InChIInChI=1S/C19H24N2O2/c1-14-17(23-19(20-14)15-9-5-4-6-10-15)13-18(22)21-16-11-7-2-3-8-12-16/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,21,22)
InChIKeyKULDXYOUEAZLSC-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.03
Rot. Bonds4

About N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide

N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide (PubChem CID 110649225) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
PubChem CID110649225
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
SMILESCc1nc(-c2ccccc2)oc1CC(=O)NC1CCCCCC1
InChIInChI=1S/C19H24N2O2/c1-14-17(23-19(20-14)15-9-5-4-6-10-15)13-18(22)21-16-11-7-2-3-8-12-16/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,21,22)
InChIKeyKULDXYOUEAZLSC-UHFFFAOYSA-N
XLogP4.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide (CID 110649225) is N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide is Cc1nc(-c2ccccc2)oc1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is KULDXYOUEAZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-17(23-19(20-14)15-9-5-4-6-10-15)13-18(22)21-16-11-7-2-3-8-12-16/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,21,22).
What are the key properties of N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide?
N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 312.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 110649225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).