(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate

C15H10N4O5 — CID 57265169

IUPAC(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESO=C(Nc1cccc(-c2ncno2)c1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O5/c20-15(23-13-6-4-12(5-7-13)19(21)22)18-11-3-1-2-10(8-11)14-16-9-17-24-14/h1-9H,(H,18,20)
InChIKeyMGAWWKDSRCVPPK-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.26
Rot. Bonds4

About (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate

(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate (PubChem CID 57265169) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate
PubChem CID57265169
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESO=C(Nc1cccc(-c2ncno2)c1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O5/c20-15(23-13-6-4-12(5-7-13)19(21)22)18-11-3-1-2-10(8-11)14-16-9-17-24-14/h1-9H,(H,18,20)
InChIKeyMGAWWKDSRCVPPK-UHFFFAOYSA-N
XLogP3.26
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl) N-[3-(4-formylphenyl)phenyl]carbamate
CID 142150976
methyl 3-[(4-nitrophenoxy)carbonylamino]benzoate
CID 19081261
(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
CID 59536323
(4-nitrophenyl) N-(1,3-benzothiazol-6-yl)carbamate
CID 59671611
methyl N-[3-(3-nitrophenyl)phenyl]carbamate
CID 110459530
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 17359051
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110418385
(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
CID 57343439
(4-nitrophenyl) N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]carbamate
CID 58958448
(4-nitrophenyl) N-[3-amino-4-(trifluoromethyl)phenyl]carbamate
CID 121257466

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The IUPAC name of (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate (CID 57265169) is (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate.
What is the SMILES notation for (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The canonical SMILES for (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate is O=C(Nc1cccc(-c2ncno2)c1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The InChIKey is MGAWWKDSRCVPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-15(23-13-6-4-12(5-7-13)19(21)22)18-11-3-1-2-10(8-11)14-16-9-17-24-14/h1-9H,(H,18,20).
What are the key properties of (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate?
(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate has a molecular weight of 326.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 57265169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).