N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine

C4H6N2O2 — CID 172819404

IUPACN-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
SMILESCc1cc(NO)no1
InChIInChI=1S/C4H6N2O2/c1-3-2-4(5-7)6-8-3/h2,7H,1H3,(H,5,6)
InChIKeyUADNBPACIOMTDO-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.78
Rot. Bonds1

About N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine

N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine (PubChem CID 172819404) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
PubChem CID172819404
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
SMILESCc1cc(NO)no1
InChIInChI=1S/C4H6N2O2/c1-3-2-4(5-7)6-8-3/h2,7H,1H3,(H,5,6)
InChIKeyUADNBPACIOMTDO-UHFFFAOYSA-N
XLogP0.78
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
(5-methyl-1,2-oxazol-3-yl)thiourea
CID 2771005
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
2-methyl-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62836911
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine (CID 172819404) is N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine is Cc1cc(NO)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine?
The InChIKey is UADNBPACIOMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3-2-4(5-7)6-8-3/h2,7H,1H3,(H,5,6).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine?
N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine has a molecular weight of 114.10 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine is sourced from PubChem (CID 172819404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).