N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine

C15H14N2O2 — CID 52945478

IUPACN-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCOc1cccc(Nc2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C15H14N2O2/c1-10-6-7-14-13(8-10)17-15(19-14)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyNRLPEHVBZURFCW-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.89
Rot. Bonds3

About N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine

N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine (PubChem CID 52945478) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine
PubChem CID52945478
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCOc1cccc(Nc2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C15H14N2O2/c1-10-6-7-14-13(8-10)17-15(19-14)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyNRLPEHVBZURFCW-UHFFFAOYSA-N
XLogP3.89
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884918
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
CID 23563141
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
2-N-(4-methoxy-3-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890647
1,1-dimethyl-3-[4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]urea
CID 118289402
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
4-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)carbamothioyl]benzamide
CID 11405099
2-N-(2,4-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10520798
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine (CID 52945478) is N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine is COc1cccc(Nc2nc3cc(C)ccc3o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine?
The InChIKey is NRLPEHVBZURFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-6-7-14-13(8-10)17-15(19-14)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine?
N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine has a molecular weight of 254.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 52945478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).