1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol

C14H18N2O2 — CID 111448240

IUPAC1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol
SMILESCCC(O)CN(Cc1ccon1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-14(17)11-16(10-12-8-9-18-15-12)13-6-4-3-5-7-13/h3-9,14,17H,2,10-11H2,1H3
InChIKeyOFOKZEMYONOFET-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds6

About 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol

1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol (PubChem CID 111448240) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol
PubChem CID111448240
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol
SMILESCCC(O)CN(Cc1ccon1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-14(17)11-16(10-12-8-9-18-15-12)13-6-4-3-5-7-13/h3-9,14,17H,2,10-11H2,1H3
InChIKeyOFOKZEMYONOFET-UHFFFAOYSA-N
XLogP2.45
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
CID 110931014
1-[N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)anilino]butan-2-ol
CID 111109847
1-[N-[(2-chloro-3-pyridinyl)methyl]anilino]butan-2-ol
CID 110924047
1-(N-butylanilino)butan-2-ol
CID 63102235
(2S)-1-[N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]anilino]butan-2-ol
CID 99630819
7-[[N-(2-hydroxybutyl)anilino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51105615
1-[N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]anilino]butan-2-ol
CID 111462724
1-[N-[(1-cyclopropyltetrazol-5-yl)methyl]anilino]butan-2-ol
CID 110919036
6-[[N-(2-hydroxybutyl)anilino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51108547
3-[[N-(2-hydroxybutyl)anilino]methyl]-1H-quinolin-2-one
CID 111113326
1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81176957
1-[N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]anilino]butan-2-ol
CID 111913355

Frequently Asked Questions

What is the IUPAC name of 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol?
The IUPAC name of 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol (CID 111448240) is 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol.
What is the SMILES notation for 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol?
The canonical SMILES for 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol is CCC(O)CN(Cc1ccon1)c1ccccc1.
What is the InChIKey of 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol?
The InChIKey is OFOKZEMYONOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-14(17)11-16(10-12-8-9-18-15-12)13-6-4-3-5-7-13/h3-9,14,17H,2,10-11H2,1H3.
What are the key properties of 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol?
1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(1,2-oxazol-3-ylmethyl)anilino]butan-2-ol is sourced from PubChem (CID 111448240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).