acetic acid;N-methyl-1,3-oxazol-2-amine

C6H10N2O3 — CID 174398182

IUPACacetic acid;N-methyl-1,3-oxazol-2-amine
SMILESCC(=O)O.CNc1ncco1
InChIInChI=1S/C4H6N2O.C2H4O2/c1-5-4-6-2-3-7-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyIQXJUBUVNMPKBO-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.81
Rot. Bonds1

About acetic acid;N-methyl-1,3-oxazol-2-amine

acetic acid;N-methyl-1,3-oxazol-2-amine (PubChem CID 174398182) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is acetic acid;N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Nameacetic acid;N-methyl-1,3-oxazol-2-amine
PubChem CID174398182
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Nameacetic acid;N-methyl-1,3-oxazol-2-amine
SMILESCC(=O)O.CNc1ncco1
InChIInChI=1S/C4H6N2O.C2H4O2/c1-5-4-6-2-3-7-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyIQXJUBUVNMPKBO-UHFFFAOYSA-N
XLogP0.81
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1,3-oxazol-2-yl)propanamide
CID 146397986
phenyl N-(1,3-oxazol-2-ylamino)carbamate
CID 175311416
4-methyl-N-(1,3-oxazol-2-yl)pentanamide
CID 130711285
4-(1,3-oxazol-2-ylamino)cyclohexane-1-carboxylic acid
CID 112710260
N-(1,3-oxazol-2-ylmethyl)acetamide
CID 89078638
(1,3-oxazol-2-ylamino)methylphosphonic acid
CID 57259802
N-hydroxy-3-methylsulfanyl-2-(1,3-oxazol-2-ylamino)propanamide
CID 163999700
(2R)-2-[3-(1,3-oxazol-2-ylamino)phenyl]propanoic acid
CID 142691668
dioxomolybdenum(2+);bis(N-(1,3-oxazol-2-yl)carbamodithioate)
CID 87669576
acetic acid;tin(2+);dichloride
CID 163897744
2-methyl-1-(1,3-oxazol-2-yl)prop-2-en-1-one
CID 91081138
N-methyl-2-(methylamino)-1,3-oxazole-5-carboxamide
CID 122695718

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-methyl-1,3-oxazol-2-amine?
The IUPAC name of acetic acid;N-methyl-1,3-oxazol-2-amine (CID 174398182) is acetic acid;N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for acetic acid;N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for acetic acid;N-methyl-1,3-oxazol-2-amine is CC(=O)O.CNc1ncco1.
What is the InChIKey of acetic acid;N-methyl-1,3-oxazol-2-amine?
The InChIKey is IQXJUBUVNMPKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.C2H4O2/c1-5-4-6-2-3-7-4;1-2(3)4/h2-3H,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;N-methyl-1,3-oxazol-2-amine?
acetic acid;N-methyl-1,3-oxazol-2-amine has a molecular weight of 158.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 174398182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).