1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea

C16H19N3O3 — CID 122148030

IUPAC1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ncco2)cc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H19N3O3/c20-14-4-2-1-3-13(14)19-16(21)18-12-7-5-11(6-8-12)15-17-9-10-22-15/h5-10,13-14,20H,1-4H2,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyZPYFYQNKMWSCKY-KBPBESRZSA-N
MW301.35 g/mol
LogP2.77
Rot. Bonds3

About 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea

1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea (PubChem CID 122148030) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea
PubChem CID122148030
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ncco2)cc1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H19N3O3/c20-14-4-2-1-3-13(14)19-16(21)18-12-7-5-11(6-8-12)15-17-9-10-22-15/h5-10,13-14,20H,1-4H2,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyZPYFYQNKMWSCKY-KBPBESRZSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 854968
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N1-[4-(1,3-oxazol-5-yl)phenyl]-2,2-dimethylpropanamide
CID 2806322
N-benzoyl-N'-[4-(1,3-oxazol-5-yl)phenyl]urea
CID 2806312
N-[4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(trifluoromethyl)benzoyl]urea
CID 2806315
4-(1,3-Oxazol-2-yl)aniline
CID 12371739
4-{[4-(2-Phenyl-1,3-oxazol-5-yl)phenyl]amino}-3-penten-2-one
CID 5310855
(2R)-2-amino-4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 104902976
Ethyl 4-(1,3-oxazol-5-ylmethylcarbamoylamino)benzoate
CID 135222659
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(1,3-oxazol-2-yl)phenyl]prop-2-enamide
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CID 168087599

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea (CID 122148030) is 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea is O=C(Nc1ccc(-c2ncco2)cc1)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is ZPYFYQNKMWSCKY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14-4-2-1-3-13(14)19-16(21)18-12-7-5-11(6-8-12)15-17-9-10-22-15/h5-10,13-14,20H,1-4H2,(H2,18,19,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea?
1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclohexyl]-3-[4-(1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 122148030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).