1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol

C15H21N3O2 — CID 78963940

IUPAC1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(-c2ccccc2)no1)CC(C)(C)O
InChIInChI=1S/C15H21N3O2/c1-4-18(11-15(2,3)19)10-13-16-14(17-20-13)12-8-6-5-7-9-12/h5-9,19H,4,10-11H2,1-3H3
InChIKeyNUPJYGVCEKBSRF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds6

About 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 78963940) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID78963940
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCN(Cc1nc(-c2ccccc2)no1)CC(C)(C)O
InChIInChI=1S/C15H21N3O2/c1-4-18(11-15(2,3)19)10-13-16-14(17-20-13)12-8-6-5-7-9-12/h5-9,19H,4,10-11H2,1-3H3
InChIKeyNUPJYGVCEKBSRF-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol
CID 111448307
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric acid
CID 6431771
1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962718
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
1-[ethyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 111334174
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 62047775
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylthiourea
CID 17275437
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol (CID 78963940) is 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol is CCN(Cc1nc(-c2ccccc2)no1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is NUPJYGVCEKBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(11-15(2,3)19)10-13-16-14(17-20-13)12-8-6-5-7-9-12/h5-9,19H,4,10-11H2,1-3H3.
What are the key properties of 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).