1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea

C16H19N3O3 — CID 97236964

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea
SMILESCc1nc(NC(=O)N[C@@]2(CO)CCc3ccccc32)oc1C
InChIInChI=1S/C16H19N3O3/c1-10-11(2)22-15(17-10)18-14(21)19-16(9-20)8-7-12-5-3-4-6-13(12)16/h3-6,20H,7-9H2,1-2H3,(H2,17,18,19,21)/t16-/m1/s1
InChIKeyGXRHUOWQRWTNNJ-MRXNPFEDSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea (PubChem CID 97236964) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea
PubChem CID97236964
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea
SMILESCc1nc(NC(=O)N[C@@]2(CO)CCc3ccccc32)oc1C
InChIInChI=1S/C16H19N3O3/c1-10-11(2)22-15(17-10)18-14(21)19-16(9-20)8-7-12-5-3-4-6-13(12)16/h3-6,20H,7-9H2,1-2H3,(H2,17,18,19,21)/t16-/m1/s1
InChIKeyGXRHUOWQRWTNNJ-MRXNPFEDSA-N
XLogP2.25
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea with MolForge

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Related Compounds

1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 47435487
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806902
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea
CID 71936890
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea
CID 75385728
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea
CID 97236963
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110923504
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102231
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119320
1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
CID 111383063
1-(2,3-dihydro-1H-inden-1-yl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(3-hydroxypropyl)urea
CID 111383091
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450234
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111450269

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea (CID 97236964) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea is Cc1nc(NC(=O)N[C@@]2(CO)CCc3ccccc32)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea?
The InChIKey is GXRHUOWQRWTNNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-11(2)22-15(17-10)18-14(21)19-16(9-20)8-7-12-5-3-4-6-13(12)16/h3-6,20H,7-9H2,1-2H3,(H2,17,18,19,21)/t16-/m1/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1S)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]urea is sourced from PubChem (CID 97236964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).