1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C18H24N4O3 — CID 111509151

IUPAC1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(NC(=O)NC1c2ccccc2CC1O)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H24N4O3/c1-10(15-21-16(22-25-15)18(2,3)4)19-17(24)20-14-12-8-6-5-7-11(12)9-13(14)23/h5-8,10,13-14,23H,9H2,1-4H3,(H2,19,20,24)
InChIKeyLRHBULZLIXHDPL-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.39
Rot. Bonds3

About 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111509151) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111509151
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(NC(=O)NC1c2ccccc2CC1O)c1nc(C(C)(C)C)no1
InChIInChI=1S/C18H24N4O3/c1-10(15-21-16(22-25-15)18(2,3)4)19-17(24)20-14-12-8-6-5-7-11(12)9-13(14)23/h5-8,10,13-14,23H,9H2,1-4H3,(H2,19,20,24)
InChIKeyLRHBULZLIXHDPL-UHFFFAOYSA-N
XLogP2.39
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124849754
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
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
1-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 119034271
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124830183
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 110895962

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 111509151) is 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is CC(NC(=O)NC1c2ccccc2CC1O)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is LRHBULZLIXHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-10(15-21-16(22-25-15)18(2,3)4)19-17(24)20-14-12-8-6-5-7-11(12)9-13(14)23/h5-8,10,13-14,23H,9H2,1-4H3,(H2,19,20,24).
What are the key properties of 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 344.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111509151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).