1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea

C15H17N3O3 — CID 138025616

IUPAC1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea
SMILESCc1nocc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1O
InChIInChI=1S/C15H17N3O3/c1-9-12(8-21-18-9)16-15(20)17-14-11-5-3-2-4-10(11)6-7-13(14)19/h2-5,8,13-14,19H,6-7H2,1H3,(H2,16,17,20)/t13-,14+/m1/s1
InChIKeyZSIUYJUFQVOWJA-KGLIPLIRSA-N
MW287.32 g/mol
LogP2.15
Rot. Bonds2

About 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea

1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea (PubChem CID 138025616) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea
PubChem CID138025616
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea
SMILESCc1nocc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1O
InChIInChI=1S/C15H17N3O3/c1-9-12(8-21-18-9)16-15(20)17-14-11-5-3-2-4-10(11)6-7-13(14)19/h2-5,8,13-14,19H,6-7H2,1H3,(H2,16,17,20)/t13-,14+/m1/s1
InChIKeyZSIUYJUFQVOWJA-KGLIPLIRSA-N
XLogP2.15
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 138024753
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)propan-2-one
CID 159533286
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
1-(3-chloro-2-methyl-4-pyridinyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 91649382
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
1-(2,3-dimethylphenyl)-3-[(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96542591
1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907994
1-(4,4-dimethyl-2-oxooxan-3-yl)-3-(3-methyl-1,2-oxazol-4-yl)urea
CID 136571757
(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 174193617
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea (CID 138025616) is 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea is Cc1nocc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
The InChIKey is ZSIUYJUFQVOWJA-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-12(8-21-18-9)16-15(20)17-14-11-5-3-2-4-10(11)6-7-13(14)19/h2-5,8,13-14,19H,6-7H2,1H3,(H2,16,17,20)/t13-,14+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea?
1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea has a molecular weight of 287.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3-methyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 138025616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).