1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea

C19H20N4O2 — CID 94816108

IUPAC1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
SMILESCc1noc([C@@H](NC(=O)NCCc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-14-21-18(25-23-14)17(16-10-6-3-7-11-16)22-19(24)20-13-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H2,20,22,24)/t17-/m0/s1
InChIKeyOZANDZNUZKXEGN-KRWDZBQOSA-N
MW336.40 g/mol
LogP3.01
Rot. Bonds6

About 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea

1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea (PubChem CID 94816108) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
PubChem CID94816108
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
SMILESCc1noc([C@@H](NC(=O)NCCc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H20N4O2/c1-14-21-18(25-23-14)17(16-10-6-3-7-11-16)22-19(24)20-13-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H2,20,22,24)/t17-/m0/s1
InChIKeyOZANDZNUZKXEGN-KRWDZBQOSA-N
XLogP3.01
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
N-benzhydryl-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29131381
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
CID 78976234
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 95318328
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
1-[2-(2-methylphenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36524562

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea (CID 94816108) is 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea is Cc1noc([C@@H](NC(=O)NCCc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea?
The InChIKey is OZANDZNUZKXEGN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-21-18(25-23-14)17(16-10-6-3-7-11-16)22-19(24)20-13-12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3,(H2,20,22,24)/t17-/m0/s1.
What are the key properties of 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea?
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 94816108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).