1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea

C16H16N4O4 — CID 95773525

IUPAC1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H](O)c1ccco1
InChIInChI=1S/C16H16N4O4/c1-10-4-5-11(15-20-18-9-24-15)7-12(10)19-16(22)17-8-13(21)14-3-2-6-23-14/h2-7,9,13,21H,8H2,1H3,(H2,17,19,22)/t13-/m1/s1
InChIKeyNLPGVBXUEHZHMC-CYBMUJFWSA-N
MW328.33 g/mol
LogP2.49
Rot. Bonds5

About 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea

1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 95773525) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID95773525
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H](O)c1ccco1
InChIInChI=1S/C16H16N4O4/c1-10-4-5-11(15-20-18-9-24-15)7-12(10)19-16(22)17-8-13(21)14-3-2-6-23-14/h2-7,9,13,21H,8H2,1H3,(H2,17,19,22)/t13-/m1/s1
InChIKeyNLPGVBXUEHZHMC-CYBMUJFWSA-N
XLogP2.49
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea with MolForge

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111474811
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
CID 110890326
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111453598
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 95773525) is 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H](O)c1ccco1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is NLPGVBXUEHZHMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-10-4-5-11(15-20-18-9-24-15)7-12(10)19-16(22)17-8-13(21)14-3-2-6-23-14/h2-7,9,13,21H,8H2,1H3,(H2,17,19,22)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 328.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 95773525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).