1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C17H22N4O3 — CID 111618143

IUPAC1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCCc1nnc(-c2ccc(NC(=O)NCC3(O)CCCC3)cc2)o1
InChIInChI=1S/C17H22N4O3/c1-2-14-20-21-15(24-14)12-5-7-13(8-6-12)19-16(22)18-11-17(23)9-3-4-10-17/h5-8,23H,2-4,9-11H2,1H3,(H2,18,19,22)
InChIKeyONBPADQCCQLIMR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111618143) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111618143
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCCc1nnc(-c2ccc(NC(=O)NCC3(O)CCCC3)cc2)o1
InChIInChI=1S/C17H22N4O3/c1-2-14-20-21-15(24-14)12-5-7-13(8-6-12)19-16(22)18-11-17(23)9-3-4-10-17/h5-8,23H,2-4,9-11H2,1H3,(H2,18,19,22)
InChIKeyONBPADQCCQLIMR-UHFFFAOYSA-N
XLogP2.73
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
CID 25284248
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate
CID 58862676
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111618143) is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CCc1nnc(-c2ccc(NC(=O)NCC3(O)CCCC3)cc2)o1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is ONBPADQCCQLIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-14-20-21-15(24-14)12-5-7-13(8-6-12)19-16(22)18-11-17(23)9-3-4-10-17/h5-8,23H,2-4,9-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 330.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111618143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).