1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C18H23N3O3 — CID 124736927

IUPAC1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H23N3O3/c1-10(16-11(2)21-24-12(16)3)9-19-18(23)20-17-14-7-5-4-6-13(14)8-15(17)22/h4-7,10,15,17,22H,8-9H2,1-3H3,(H2,19,20,23)/t10-,15-,17-/m1/s1
InChIKeyPFLBYGIMAXOIJG-IGGJQXEISA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 124736927) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID124736927
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H23N3O3/c1-10(16-11(2)21-24-12(16)3)9-19-18(23)20-17-14-7-5-4-6-13(14)8-15(17)22/h4-7,10,15,17,22H,8-9H2,1-3H3,(H2,19,20,23)/t10-,15-,17-/m1/s1
InChIKeyPFLBYGIMAXOIJG-IGGJQXEISA-N
XLogP2.35
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
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1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
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1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507828
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 75613660
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340875
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923387
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(3-methylbutoxy)ethyl]urea
CID 110908580
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111542818
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111509352

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 124736927) is 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is PFLBYGIMAXOIJG-IGGJQXEISA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10(16-11(2)21-24-12(16)3)9-19-18(23)20-17-14-7-5-4-6-13(14)8-15(17)22/h4-7,10,15,17,22H,8-9H2,1-3H3,(H2,19,20,23)/t10-,15-,17-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 124736927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).