N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

C16H20N2O3 — CID 107202129

IUPACN-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCN(CCCCCO)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H20N2O3/c1-18(10-6-3-7-11-19)16(20)15-12-14(17-21-15)13-8-4-2-5-9-13/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3
InChIKeyWPVBGPGYJLMBMC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.58
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 107202129) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID107202129
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCN(CCCCCO)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H20N2O3/c1-18(10-6-3-7-11-19)16(20)15-12-14(17-21-15)13-8-4-2-5-9-13/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3
InChIKeyWPVBGPGYJLMBMC-UHFFFAOYSA-N
XLogP2.58
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
N-(5-hydroxypentyl)-N-methyl-3-phenylthiophene-2-carboxamide
CID 107202461
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
CID 2745542
5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 107201888
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767662

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (CID 107202129) is N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is CN(CCCCCO)C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is WPVBGPGYJLMBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(10-6-3-7-11-19)16(20)15-12-14(17-21-15)13-8-4-2-5-9-13/h2,4-5,8-9,12,19H,3,6-7,10-11H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 107202129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).