1-(1,2-oxazol-4-ylmethylamino)propan-2-ol

C7H12N2O2 — CID 60869048

IUPAC1-(1,2-oxazol-4-ylmethylamino)propan-2-ol
SMILESCC(O)CNCc1cnoc1
InChIInChI=1S/C7H12N2O2/c1-6(10)2-8-3-7-4-9-11-5-7/h4-6,8,10H,2-3H2,1H3
InChIKeyJASUVUBZBNGPGE-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.14
Rot. Bonds4

About 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol

1-(1,2-oxazol-4-ylmethylamino)propan-2-ol (PubChem CID 60869048) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,2-oxazol-4-ylmethylamino)propan-2-ol
PubChem CID60869048
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(1,2-oxazol-4-ylmethylamino)propan-2-ol
SMILESCC(O)CNCc1cnoc1
InChIInChI=1S/C7H12N2O2/c1-6(10)2-8-3-7-4-9-11-5-7/h4-6,8,10H,2-3H2,1H3
InChIKeyJASUVUBZBNGPGE-UHFFFAOYSA-N
XLogP0.14
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine
CID 60869612
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
3-(1,2-oxazol-4-ylmethylamino)propanamide
CID 60869054
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
3-(1,2-oxazol-4-ylmethyl)pentan-2-ol
CID 79424055
1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
CID 109396051
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol (CID 60869048) is 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol is CC(O)CNCc1cnoc1.
What is the InChIKey of 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol?
The InChIKey is JASUVUBZBNGPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)2-8-3-7-4-9-11-5-7/h4-6,8,10H,2-3H2,1H3.
What are the key properties of 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol?
1-(1,2-oxazol-4-ylmethylamino)propan-2-ol has a molecular weight of 156.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60869048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).