1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine

C14H17N3O2 — CID 154770585

IUPAC1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNC(c2ccncc2)C2CC2)on1
InChIInChI=1S/C14H17N3O2/c1-18-13-8-12(19-17-13)9-16-14(10-2-3-10)11-4-6-15-7-5-11/h4-8,10,14,16H,2-3,9H2,1H3
InChIKeyVFDYLMANJWBMKL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.32
Rot. Bonds6

About 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine

1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 154770585) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID154770585
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1cc(CNC(c2ccncc2)C2CC2)on1
InChIInChI=1S/C14H17N3O2/c1-18-13-8-12(19-17-13)9-16-14(10-2-3-10)11-4-6-15-7-5-11/h4-8,10,14,16H,2-3,9H2,1H3
InChIKeyVFDYLMANJWBMKL-UHFFFAOYSA-N
XLogP2.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]cyclohexanamine
CID 126837976
2-[[cyclopropyl(pyridin-4-yl)methyl]amino]ethanol
CID 121230237
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698985
1-cyclopropyl-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 154770586
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
1,1-dicyclopropyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]methanamine
CID 115723277
N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine
CID 116952366
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-1-(4-methoxyphenyl)methanamine
CID 112809029
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine (CID 154770585) is 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine is COc1cc(CNC(c2ccncc2)C2CC2)on1.
What is the InChIKey of 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is VFDYLMANJWBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-13-8-12(19-17-13)9-16-14(10-2-3-10)11-4-6-15-7-5-11/h4-8,10,14,16H,2-3,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine?
1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 154770585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).