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

C17H21N3O3 — CID 71992244

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCc1cnc(-c2cccc(NC(=O)NCC3CCCC3O)c2)o1
InChIInChI=1S/C17H21N3O3/c1-11-9-18-16(23-11)12-4-2-6-14(8-12)20-17(22)19-10-13-5-3-7-15(13)21/h2,4,6,8-9,13,15,21H,3,5,7,10H2,1H3,(H2,19,20,22)
InChIKeyBZPQKKYUUQZMLR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.93
Rot. Bonds4

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

1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 71992244) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
PubChem CID71992244
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
SMILESCc1cnc(-c2cccc(NC(=O)NCC3CCCC3O)c2)o1
InChIInChI=1S/C17H21N3O3/c1-11-9-18-16(23-11)12-4-2-6-14(8-12)20-17(22)19-10-13-5-3-7-15(13)21/h2,4,6,8-9,13,15,21H,3,5,7,10H2,1H3,(H2,19,20,22)
InChIKeyBZPQKKYUUQZMLR-UHFFFAOYSA-N
XLogP2.93
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
CID 86817334
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1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
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CID 111424928
1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-[[(1R,2R)-2-hydroxycyclohexyl]methyl]urea
CID 59198275
tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate
CID 56784550
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CID 167773270
1-[3-[7-(5-methyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320919
3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
CID 115885071
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
3-amino-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136524529
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-(3-methyl-4-pyrrolidin-1-ylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (CID 71992244) is 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is Cc1cnc(-c2cccc(NC(=O)NCC3CCCC3O)c2)o1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is BZPQKKYUUQZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-9-18-16(23-11)12-4-2-6-14(8-12)20-17(22)19-10-13-5-3-7-15(13)21/h2,4,6,8-9,13,15,21H,3,5,7,10H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 315.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 71992244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).