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

C15H18N4O3 — CID 125158191

IUPAC1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCCC1=NO[C@@H](CNC(=O)Nc2ccc3c(c2)CC(=O)N3)C1
InChIInChI=1S/C15H18N4O3/c1-2-10-7-12(22-19-10)8-16-15(21)17-11-3-4-13-9(5-11)6-14(20)18-13/h3-5,12H,2,6-8H2,1H3,(H,18,20)(H2,16,17,21)/t12-/m1/s1
InChIKeyVQMGASWLCJBBSW-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.86
Rot. Bonds4

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

1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 125158191) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID125158191
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCCC1=NO[C@@H](CNC(=O)Nc2ccc3c(c2)CC(=O)N3)C1
InChIInChI=1S/C15H18N4O3/c1-2-10-7-12(22-19-10)8-16-15(21)17-11-3-4-13-9(5-11)6-14(20)18-13/h3-5,12H,2,6-8H2,1H3,(H,18,20)(H2,16,17,21)/t12-/m1/s1
InChIKeyVQMGASWLCJBBSW-GFCCVEGCSA-N
XLogP1.86
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 125172479
1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 95052140
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97454506
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108

Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 125158191) is 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea is CCC1=NO[C@@H](CNC(=O)Nc2ccc3c(c2)CC(=O)N3)C1.
What is the InChIKey of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is VQMGASWLCJBBSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-10-7-12(22-19-10)8-16-15(21)17-11-3-4-13-9(5-11)6-14(20)18-13/h3-5,12H,2,6-8H2,1H3,(H,18,20)(H2,16,17,21)/t12-/m1/s1.
What are the key properties of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 302.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 125158191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).