N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C15H18N2O4 — CID 90574079

IUPACN-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C15H18N2O4/c1-19-9-5-8-16-15(18)13-10-14(17-21-13)20-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18)
InChIKeyNSRBWFYNTQYQMR-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.02
Rot. Bonds8

About N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 90574079) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID90574079
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C15H18N2O4/c1-19-9-5-8-16-15(18)13-10-14(17-21-13)20-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18)
InChIKeyNSRBWFYNTQYQMR-UHFFFAOYSA-N
XLogP2.02
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 71802527
N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114
3-phenylmethoxy-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 90574076
N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574190
N-[2-(1H-indol-3-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574118
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
3-phenylmethoxy-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 90574213
N-(2,5-dichlorophenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574182
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 90574079) is N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is COCCCNC(=O)c1cc(OCc2ccccc2)no1.
What is the InChIKey of N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is NSRBWFYNTQYQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-9-5-8-16-15(18)13-10-14(17-21-13)20-11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90574079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).