N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine

C11H12N2O2 — CID 82671591

IUPACN-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
SMILESCOc1ccc(CNc2ccon2)cc1
InChIInChI=1S/C11H12N2O2/c1-14-10-4-2-9(3-5-10)8-12-11-6-7-15-13-11/h2-7H,8H2,1H3,(H,12,13)
InChIKeyXNCXJZIYQYJNKD-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine

N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine (PubChem CID 82671591) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
PubChem CID82671591
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
SMILESCOc1ccc(CNc2ccon2)cc1
InChIInChI=1S/C11H12N2O2/c1-14-10-4-2-9(3-5-10)8-12-11-6-7-15-13-11/h2-7H,8H2,1H3,(H,12,13)
InChIKeyXNCXJZIYQYJNKD-UHFFFAOYSA-N
XLogP2.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312160
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 71782080
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine (CID 82671591) is N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine is COc1ccc(CNc2ccon2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine?
The InChIKey is XNCXJZIYQYJNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-14-10-4-2-9(3-5-10)8-12-11-6-7-15-13-11/h2-7H,8H2,1H3,(H,12,13).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine?
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine has a molecular weight of 204.23 g/mol, XLogP of 2.30, 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]-1,2-oxazol-3-amine is sourced from PubChem (CID 82671591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).