1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

C17H24N4O3 — CID 97242045

IUPAC1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1noc(C)n1
InChIInChI=1S/C17H24N4O3/c1-5-15(16-18-12(3)24-20-16)19-17(23)21(4)11(2)10-13-6-8-14(22)9-7-13/h6-9,11,15,22H,5,10H2,1-4H3,(H,19,23)/t11-,15-/m1/s1
InChIKeyGCWQHVPNSILIOE-IAQYHMDHSA-N
MW332.40 g/mol
LogP2.81
Rot. Bonds6

About 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea

1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (PubChem CID 97242045) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
PubChem CID97242045
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
SMILESCC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1noc(C)n1
InChIInChI=1S/C17H24N4O3/c1-5-15(16-18-12(3)24-20-16)19-17(23)21(4)11(2)10-13-6-8-14(22)9-7-13/h6-9,11,15,22H,5,10H2,1-4H3,(H,19,23)/t11-,15-/m1/s1
InChIKeyGCWQHVPNSILIOE-IAQYHMDHSA-N
XLogP2.81
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-hydroxypentan-2-yl)-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 109390126
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CID 100726211
1-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 75378383
1-(3-ethyl-2-hydroxypentyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566590
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 75388669
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
1-[(2S)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 97096543
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]pyrrolidine-1-carboxamide
CID 99627815
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
3-[(1S)-1-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]ethyl]phenol
CID 124850642
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The IUPAC name of 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea (CID 97242045) is 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea.
What is the SMILES notation for 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The canonical SMILES for 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is CC[C@@H](NC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)c1noc(C)n1.
What is the InChIKey of 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
The InChIKey is GCWQHVPNSILIOE-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-15(16-18-12(3)24-20-16)19-17(23)21(4)11(2)10-13-6-8-14(22)9-7-13/h6-9,11,15,22H,5,10H2,1-4H3,(H,19,23)/t11-,15-/m1/s1.
What are the key properties of 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea?
1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea is sourced from PubChem (CID 97242045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).