1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

C18H23N3O3 — CID 110936606

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCc1ncc(-c2ccccc2)o1)NCC1(O)CCCCC1
InChIInChI=1S/C18H23N3O3/c22-17(21-13-18(23)9-5-2-6-10-18)20-12-16-19-11-15(24-16)14-7-3-1-4-8-14/h1,3-4,7-8,11,23H,2,5-6,9-10,12-13H2,(H2,20,21,22)
InChIKeyJYSCZOLEQILARC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.84
Rot. Bonds5

About 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 110936606) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID110936606
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCc1ncc(-c2ccccc2)o1)NCC1(O)CCCCC1
InChIInChI=1S/C18H23N3O3/c22-17(21-13-18(23)9-5-2-6-10-18)20-12-16-19-11-15(24-16)14-7-3-1-4-8-14/h1,3-4,7-8,11,23H,2,5-6,9-10,12-13H2,(H2,20,21,22)
InChIKeyJYSCZOLEQILARC-UHFFFAOYSA-N
XLogP2.84
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 138033045
N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111486053
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109468743
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111630637
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 51081529
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 138004669

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 110936606) is 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is O=C(NCc1ncc(-c2ccccc2)o1)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is JYSCZOLEQILARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(21-13-18(23)9-5-2-6-10-18)20-12-16-19-11-15(24-16)14-7-3-1-4-8-14/h1,3-4,7-8,11,23H,2,5-6,9-10,12-13H2,(H2,20,21,22).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 110936606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).