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

C17H18N4O3 — CID 92868257

IUPAC1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccco3)cc2)no1
InChIInChI=1S/C17H18N4O3/c1-11(10-15-4-3-9-23-15)18-17(22)20-14-7-5-13(6-8-14)16-19-12(2)24-21-16/h3-9,11H,10H2,1-2H3,(H2,18,20,22)/t11-/m0/s1
InChIKeySSIFNSMSMDNPLB-NSHDSACASA-N
MW326.36 g/mol
LogP3.39
Rot. Bonds5

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

1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (PubChem CID 92868257) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
PubChem CID92868257
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
SMILESCc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccco3)cc2)no1
InChIInChI=1S/C17H18N4O3/c1-11(10-15-4-3-9-23-15)18-17(22)20-14-7-5-13(6-8-14)16-19-12(2)24-21-16/h3-9,11H,10H2,1-2H3,(H2,18,20,22)/t11-/m0/s1
InChIKeySSIFNSMSMDNPLB-NSHDSACASA-N
XLogP3.39
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
1-(4-bromophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46361356
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777
3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 50827812
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99705670
1-[1-(furan-2-yl)propan-2-yl]-3-(3-methoxyphenyl)urea
CID 47172007
2-[1-(furan-2-yl)propan-2-ylamino]-N-(4-methylphenyl)acetamide
CID 61043887
1-butan-2-yl-3-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778401
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208521
N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 95089083
1-(3,4-difluorophenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778209

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea (CID 92868257) is 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is Cc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccco3)cc2)no1.
What is the InChIKey of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
The InChIKey is SSIFNSMSMDNPLB-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11(10-15-4-3-9-23-15)18-17(22)20-14-7-5-13(6-8-14)16-19-12(2)24-21-16/h3-9,11H,10H2,1-2H3,(H2,18,20,22)/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea?
1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea has a molecular weight of 326.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea is sourced from PubChem (CID 92868257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).