1-(1,2-oxazol-3-ylamino)propan-2-one

C6H8N2O2 — CID 134365641

IUPAC1-(1,2-oxazol-3-ylamino)propan-2-one
SMILESCC(=O)CNc1ccon1
InChIInChI=1S/C6H8N2O2/c1-5(9)4-7-6-2-3-10-8-6/h2-3H,4H2,1H3,(H,7,8)
InChIKeyHPDGSRKULWFRNE-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.68
Rot. Bonds3

About 1-(1,2-oxazol-3-ylamino)propan-2-one

1-(1,2-oxazol-3-ylamino)propan-2-one (PubChem CID 134365641) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylamino)propan-2-one
PubChem CID134365641
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-(1,2-oxazol-3-ylamino)propan-2-one
SMILESCC(=O)CNc1ccon1
InChIInChI=1S/C6H8N2O2/c1-5(9)4-7-6-2-3-10-8-6/h2-3H,4H2,1H3,(H,7,8)
InChIKeyHPDGSRKULWFRNE-UHFFFAOYSA-N
XLogP0.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
N-ethyl-1,2-oxazol-3-amine;hydrochloride
CID 89422608
2-(1,2-oxazol-3-ylamino)ethanol
CID 66605980
2-(butan-2-ylamino)-N-(1,2-oxazol-3-yl)acetamide
CID 42656286
N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59531410
CID 59694793
CID 59694793
2-methoxy-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 104580759
2,3-dimethyl-4-(1,2-oxazol-3-ylamino)-4-oxobut-2-enoic acid
CID 76992297
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
1-[(6-methylpyridazin-3-yl)amino]propan-2-one
CID 116972083
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylamino)propan-2-one?
The IUPAC name of 1-(1,2-oxazol-3-ylamino)propan-2-one (CID 134365641) is 1-(1,2-oxazol-3-ylamino)propan-2-one.
What is the SMILES notation for 1-(1,2-oxazol-3-ylamino)propan-2-one?
The canonical SMILES for 1-(1,2-oxazol-3-ylamino)propan-2-one is CC(=O)CNc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-ylamino)propan-2-one?
The InChIKey is HPDGSRKULWFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5(9)4-7-6-2-3-10-8-6/h2-3H,4H2,1H3,(H,7,8).
What are the key properties of 1-(1,2-oxazol-3-ylamino)propan-2-one?
1-(1,2-oxazol-3-ylamino)propan-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylamino)propan-2-one is sourced from PubChem (CID 134365641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).