N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C14H16N2O — CID 79889646

IUPACN-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESc1ccc(C2CC2)c(CNCc2ccon2)c1
InChIInChI=1S/C14H16N2O/c1-2-4-14(11-5-6-11)12(3-1)9-15-10-13-7-8-17-16-13/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyIPSGIJAQEPCEGZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.84
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 79889646) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID79889646
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESc1ccc(C2CC2)c(CNCc2ccon2)c1
InChIInChI=1S/C14H16N2O/c1-2-4-14(11-5-6-11)12(3-1)9-15-10-13-7-8-17-16-13/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyIPSGIJAQEPCEGZ-UHFFFAOYSA-N
XLogP2.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16191689
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1-[2-(3-fluorophenyl)ethyl]-N-(1,2-oxazol-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 24793307
(E)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
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N'-benzyl-N-(1-isoxazol-3-ylethyl)-N-methylsulfamide
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N-[(3S*,4R*)-1-(3-isoxazolylcarbonyl)-4-(4-methylphenyl)-3-pyrrolidinyl]cyclopropanecarboxamide
CID 70711111
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 71853312
1-[[4-[(3-Methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
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N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine
CID 71968702
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 75388509
1-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropan-1-amine
CID 75443071
1-(1,2-Oxazol-3-ylmethyl)-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 79889646) is N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine is c1ccc(C2CC2)c(CNCc2ccon2)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is IPSGIJAQEPCEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-4-14(11-5-6-11)12(3-1)9-15-10-13-7-8-17-16-13/h1-4,7-8,11,15H,5-6,9-10H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 228.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 79889646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).