N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H22N2O3 — CID 107201961

IUPACN-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(CCCCCO)C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H22N2O3/c1-18(10-6-3-7-11-19)16(20)15-12-14(17-21-15)13-8-4-2-5-9-13/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3
InChIKeyDKIQMOVRQKDHRF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 107201961) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID107201961
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCN(CCCCCO)C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H22N2O3/c1-18(10-6-3-7-11-19)16(20)15-12-14(17-21-15)13-8-4-2-5-9-13/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3
InChIKeyDKIQMOVRQKDHRF-UHFFFAOYSA-N
XLogP1.80
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 107201961) is N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-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-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DKIQMOVRQKDHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(10-6-3-7-11-19)16(20)15-12-14(17-21-15)13-8-4-2-5-9-13/h2,4-5,8-9,15,19H,3,6-7,10-12H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.80, 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-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 107201961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).