phenyl N-(1,3-oxazol-2-ylamino)carbamate

C10H9N3O3 — CID 175311416

IUPACphenyl N-(1,3-oxazol-2-ylamino)carbamate
SMILESO=C(NNc1ncco1)Oc1ccccc1
InChIInChI=1S/C10H9N3O3/c14-10(13-12-9-11-6-7-15-9)16-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)
InChIKeyABNDWELTCIKOMZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.79
Rot. Bonds3

About phenyl N-(1,3-oxazol-2-ylamino)carbamate

phenyl N-(1,3-oxazol-2-ylamino)carbamate (PubChem CID 175311416) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is phenyl N-(1,3-oxazol-2-ylamino)carbamate.

Molecular Properties

Compound Namephenyl N-(1,3-oxazol-2-ylamino)carbamate
PubChem CID175311416
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namephenyl N-(1,3-oxazol-2-ylamino)carbamate
SMILESO=C(NNc1ncco1)Oc1ccccc1
InChIInChI=1S/C10H9N3O3/c14-10(13-12-9-11-6-7-15-9)16-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)
InChIKeyABNDWELTCIKOMZ-UHFFFAOYSA-N
XLogP1.79
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(2,4-dichloroanilino)carbamate
CID 154093412
phenyl N-[(1-methyl-3-phenylpyrazol-5-yl)amino]carbamate
CID 174715217
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
phenyl N-(5-methyl-1,3,4-oxadiazol-2-yl)carbamate
CID 86657865
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
CID 174766296
phenyl N-(2-aminoacetyl)carbamate
CID 20596874

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,3-oxazol-2-ylamino)carbamate?
The IUPAC name of phenyl N-(1,3-oxazol-2-ylamino)carbamate (CID 175311416) is phenyl N-(1,3-oxazol-2-ylamino)carbamate.
What is the SMILES notation for phenyl N-(1,3-oxazol-2-ylamino)carbamate?
The canonical SMILES for phenyl N-(1,3-oxazol-2-ylamino)carbamate is O=C(NNc1ncco1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1,3-oxazol-2-ylamino)carbamate?
The InChIKey is ABNDWELTCIKOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-10(13-12-9-11-6-7-15-9)16-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14).
What are the key properties of phenyl N-(1,3-oxazol-2-ylamino)carbamate?
phenyl N-(1,3-oxazol-2-ylamino)carbamate has a molecular weight of 219.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,3-oxazol-2-ylamino)carbamate is sourced from PubChem (CID 175311416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).