1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine

C12H13ClN2O2 — CID 119138516

IUPAC1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cocn2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-16-12-3-2-9(4-11(12)13)5-14-6-10-7-17-8-15-10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyYRLPZIRDBGMCRP-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine

1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine (PubChem CID 119138516) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
PubChem CID119138516
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cocn2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-16-12-3-2-9(4-11(12)13)5-14-6-10-7-17-8-15-10/h2-4,7-8,14H,5-6H2,1H3
InChIKeyYRLPZIRDBGMCRP-UHFFFAOYSA-N
XLogP2.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65021948
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
4-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 65021424
1-(2,3-dimethoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine
CID 119125663
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine (CID 119138516) is 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine is COc1ccc(CNCc2cocn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
The InChIKey is YRLPZIRDBGMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-16-12-3-2-9(4-11(12)13)5-14-6-10-7-17-8-15-10/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine?
1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine has a molecular weight of 252.70 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)methanamine is sourced from PubChem (CID 119138516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).