1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea

C14H15N3O5 — CID 110890326

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C14H15N3O5/c1-9-4-5-10(17(20)21)7-11(9)16-14(19)15-8-12(18)13-3-2-6-22-13/h2-7,12,18H,8H2,1H3,(H2,15,16,19)
InChIKeyVPQJWVDLIUVCOD-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea (PubChem CID 110890326) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
PubChem CID110890326
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C14H15N3O5/c1-9-4-5-10(17(20)21)7-11(9)16-14(19)15-8-12(18)13-3-2-6-22-13/h2-7,12,18H,8H2,1H3,(H2,15,16,19)
InChIKeyVPQJWVDLIUVCOD-UHFFFAOYSA-N
XLogP2.35
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 95773525
1-[(2R)-2-hydroxy-2-phenylethyl]-3-(2-methyl-4-nitrophenyl)urea
CID 99702023
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
1-(furan-2-ylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620231
4-[(2-methyl-5-nitrophenyl)carbamoylamino]butanoic acid
CID 122073503
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea (CID 110890326) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea is Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea?
The InChIKey is VPQJWVDLIUVCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-9-4-5-10(17(20)21)7-11(9)16-14(19)15-8-12(18)13-3-2-6-22-13/h2-7,12,18H,8H2,1H3,(H2,15,16,19).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea has a molecular weight of 305.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea is sourced from PubChem (CID 110890326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).