N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide

C25H31N3O4 — CID 143736759

IUPACN-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide
SMILESCOCCCNC=O.O=C(Nc1ccc(C2CCCCC2)cc1)c1onc2ccccc12
InChIInChI=1S/C20H20N2O2.C5H11NO2/c23-20(19-17-8-4-5-9-18(17)22-24-19)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-8-4-2-3-6-5-7/h4-5,8-14H,1-3,6-7H2,(H,21,23);5H,2-4H2,1H3,(H,6,7)
InChIKeyHDYWOPQTPUSWGW-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.90
Rot. Bonds8

About N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide

N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide (PubChem CID 143736759) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide
PubChem CID143736759
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide
SMILESCOCCCNC=O.O=C(Nc1ccc(C2CCCCC2)cc1)c1onc2ccccc12
InChIInChI=1S/C20H20N2O2.C5H11NO2/c23-20(19-17-8-4-5-9-18(17)22-24-19)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-8-4-2-3-6-5-7/h4-5,8-14H,1-3,6-7H2,(H,21,23);5H,2-4H2,1H3,(H,6,7)
InChIKeyHDYWOPQTPUSWGW-UHFFFAOYSA-N
XLogP4.90
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide (CID 143736759) is N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide is COCCCNC=O.O=C(Nc1ccc(C2CCCCC2)cc1)c1onc2ccccc12.
What is the InChIKey of N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide?
The InChIKey is HDYWOPQTPUSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C5H11NO2/c23-20(19-17-8-4-5-9-18(17)22-24-19)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-8-4-2-3-6-5-7/h4-5,8-14H,1-3,6-7H2,(H,21,23);5H,2-4H2,1H3,(H,6,7).
What are the key properties of N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide?
N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide has a molecular weight of 437.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2,1-benzoxazole-3-carboxamide;N-(3-methoxypropyl)formamide is sourced from PubChem (CID 143736759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).