(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol

C14H19N3O3 — CID 70129441

IUPAC(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol
SMILESCCCC(N)[C@H](O)c1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C14H19N3O3/c1-3-4-11(15)12(18)14-17-16-13(20-14)9-5-7-10(19-2)8-6-9/h5-8,11-12,18H,3-4,15H2,1-2H3/t11?,12-/m0/s1
InChIKeyNGNWTPYIAKZSHF-KIYNQFGBSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds6

About (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol

(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol (PubChem CID 70129441) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol
PubChem CID70129441
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol
SMILESCCCC(N)[C@H](O)c1nnc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C14H19N3O3/c1-3-4-11(15)12(18)14-17-16-13(20-14)9-5-7-10(19-2)8-6-9/h5-8,11-12,18H,3-4,15H2,1-2H3/t11?,12-/m0/s1
InChIKeyNGNWTPYIAKZSHF-KIYNQFGBSA-N
XLogP1.91
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol;hydrochloride
CID 70129437
(1S)-2-amino-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-ol
CID 70130064
2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[1-(3-methylphenoxy)propyl]-1,3,4-oxadiazole
CID 20778406
5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 9199584
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol?
The IUPAC name of (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol (CID 70129441) is (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol.
What is the SMILES notation for (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol?
The canonical SMILES for (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol is CCCC(N)[C@H](O)c1nnc(-c2ccc(OC)cc2)o1.
What is the InChIKey of (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol?
The InChIKey is NGNWTPYIAKZSHF-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-4-11(15)12(18)14-17-16-13(20-14)9-5-7-10(19-2)8-6-9/h5-8,11-12,18H,3-4,15H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol?
(1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol has a molecular weight of 277.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentan-1-ol is sourced from PubChem (CID 70129441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).