N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C16H18N2O3 — CID 3242135

IUPACN-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2noc3c2CCCC3)cc1
InChIInChI=1S/C16H18N2O3/c1-20-12-8-6-11(7-9-12)10-17-16(19)15-13-4-2-3-5-14(13)21-18-15/h6-9H,2-5,10H2,1H3,(H,17,19)
InChIKeyQKHMPNHSUIZCSC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 3242135) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID3242135
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2noc3c2CCCC3)cc1
InChIInChI=1S/C16H18N2O3/c1-20-12-8-6-11(7-9-12)10-17-16(19)15-13-4-2-3-5-14(13)21-18-15/h6-9H,2-5,10H2,1H3,(H,17,19)
InChIKeyQKHMPNHSUIZCSC-UHFFFAOYSA-N
XLogP2.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 3242135) is N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is COc1ccc(CNC(=O)c2noc3c2CCCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is QKHMPNHSUIZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-12-8-6-11(7-9-12)10-17-16(19)15-13-4-2-3-5-14(13)21-18-15/h6-9H,2-5,10H2,1H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 3242135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).