1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

C14H16N2O — CID 114185896

IUPAC1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccc(C3CC3)cc2)on1
InChIInChI=1S/C14H16N2O/c1-3-12(13-5-6-13)4-2-11(1)9-15-10-14-7-8-16-17-14/h1-4,7-8,13,15H,5-6,9-10H2
InChIKeyQGRWXLBKKRMINF-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine

1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (PubChem CID 114185896) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
PubChem CID114185896
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccc(C3CC3)cc2)on1
InChIInChI=1S/C14H16N2O/c1-3-12(13-5-6-13)4-2-11(1)9-15-10-14-7-8-16-17-14/h1-4,7-8,13,15H,5-6,9-10H2
InChIKeyQGRWXLBKKRMINF-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

N-benzyl-1,2-oxazole-5-carboxamide
CID 91004792
N-((1-(4-fluorophenyl)cyclopropyl)methyl)isoxazole-5-carboxamide
CID 45560922
3-(4-fluorophenyl)-N-(isoxazol-5-ylmethyl)-3-phenylpropanamide
CID 46983011
1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 71943105
(1S)-1-(3-bromo-5-fluorophenyl)-2-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 129471767
5-[[4-[(2,5-Difluorophenyl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 132394857
N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 106414866
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 138674317
(3R)-3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide
CID 52377752
(3S)-3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide
CID 52377753
5-[[2-(4-Fluorophenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53531445
1-(2-fluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 75402014

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine (CID 114185896) is 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is c1cc(CNCc2ccc(C3CC3)cc2)on1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
The InChIKey is QGRWXLBKKRMINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-12(13-5-6-13)4-2-11(1)9-15-10-14-7-8-16-17-14/h1-4,7-8,13,15H,5-6,9-10H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine?
1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)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 1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine is sourced from PubChem (CID 114185896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).