(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C16H21N3O2 — CID 104983509

IUPAC(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOC(c1noc([C@@H](N)CCc2ccccc2)n1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-20-14(12-8-9-12)15-18-16(21-19-15)13(17)10-7-11-5-3-2-4-6-11/h2-6,12-14H,7-10,17H2,1H3/t13-,14?/m0/s1
InChIKeyPRLCFZVFNJPWSX-LSLKUGRBSA-N
MW287.36 g/mol
LogP2.80
Rot. Bonds7

About (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 104983509) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID104983509
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESCOC(c1noc([C@@H](N)CCc2ccccc2)n1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-20-14(12-8-9-12)15-18-16(21-19-15)13(17)10-7-11-5-3-2-4-6-11/h2-6,12-14H,7-10,17H2,1H3/t13-,14?/m0/s1
InChIKeyPRLCFZVFNJPWSX-LSLKUGRBSA-N
XLogP2.80
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983451
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918109
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918176
5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 114918225
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 116732656
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
CID 116743518
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
CID 62880091

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 104983509) is (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is COC(c1noc([C@@H](N)CCc2ccccc2)n1)C1CC1.
What is the InChIKey of (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is PRLCFZVFNJPWSX-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14(12-8-9-12)15-18-16(21-19-15)13(17)10-7-11-5-3-2-4-6-11/h2-6,12-14H,7-10,17H2,1H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 104983509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).