N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide

C19H24N2O3 — CID 111538994

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1cc(-c2ccccc2)on1)NCC1(O)CCCCCC1
InChIInChI=1S/C19H24N2O3/c22-18(20-14-19(23)10-6-1-2-7-11-19)13-16-12-17(24-21-16)15-8-4-3-5-9-15/h3-5,8-9,12,23H,1-2,6-7,10-11,13-14H2,(H,20,22)
InChIKeyPMXALGITZYPFBP-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.09
Rot. Bonds5

About N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (PubChem CID 111538994) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
PubChem CID111538994
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1cc(-c2ccccc2)on1)NCC1(O)CCCCCC1
InChIInChI=1S/C19H24N2O3/c22-18(20-14-19(23)10-6-1-2-7-11-19)13-16-12-17(24-21-16)15-8-4-3-5-9-15/h3-5,8-9,12,23H,1-2,6-7,10-11,13-14H2,(H,20,22)
InChIKeyPMXALGITZYPFBP-UHFFFAOYSA-N
XLogP3.09
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
N-[1-(hydroxymethyl)cyclopentyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110008669
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
CID 110313875
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 97227511
N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619673
N-(3-cyanothiolan-3-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 71984945
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide (CID 111538994) is N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is O=C(Cc1cc(-c2ccccc2)on1)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is PMXALGITZYPFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18(20-14-19(23)10-6-1-2-7-11-19)13-16-12-17(24-21-16)15-8-4-3-5-9-15/h3-5,8-9,12,23H,1-2,6-7,10-11,13-14H2,(H,20,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 111538994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).