1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

C18H23N5O2 — CID 124873809

IUPAC1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCc1ccc(C2=NO[C@@H](CNC(=O)NCCc3ccnn3C)C2)cc1
InChIInChI=1S/C18H23N5O2/c1-13-3-5-14(6-4-13)17-11-16(25-22-17)12-20-18(24)19-9-7-15-8-10-21-23(15)2/h3-6,8,10,16H,7,9,11-12H2,1-2H3,(H2,19,20,24)/t16-/m1/s1
InChIKeyUDPDDFQXZKSTPG-MRXNPFEDSA-N
MW341.42 g/mol
LogP1.76
Rot. Bonds6

About 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 124873809) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID124873809
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCc1ccc(C2=NO[C@@H](CNC(=O)NCCc3ccnn3C)C2)cc1
InChIInChI=1S/C18H23N5O2/c1-13-3-5-14(6-4-13)17-11-16(25-22-17)12-20-18(24)19-9-7-15-8-10-21-23(15)2/h3-6,8,10,16H,7,9,11-12H2,1-2H3,(H2,19,20,24)/t16-/m1/s1
InChIKeyUDPDDFQXZKSTPG-MRXNPFEDSA-N
XLogP1.76
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
CID 119051656
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[(2R)-1-methoxybutan-2-yl]-3-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124849146
N-methyl-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 42789312
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 136559965
(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide
CID 125141361
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
4-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110215462
4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
CID 103000982

Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 124873809) is 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is Cc1ccc(C2=NO[C@@H](CNC(=O)NCCc3ccnn3C)C2)cc1.
What is the InChIKey of 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is UDPDDFQXZKSTPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-3-5-14(6-4-13)17-11-16(25-22-17)12-20-18(24)19-9-7-15-8-10-21-23(15)2/h3-6,8,10,16H,7,9,11-12H2,1-2H3,(H2,19,20,24)/t16-/m1/s1.
What are the key properties of 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 341.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 124873809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).