N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H23N3O3 — CID 111332905

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCC3(O)CCCC3)o2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-4-6-14(7-5-13)17-21-20-16(24-17)9-8-15(22)19-12-18(23)10-2-3-11-18/h4-7,23H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyFLCUTJCNTATJPF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.40
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 111332905) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID111332905
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCC3(O)CCCC3)o2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-4-6-14(7-5-13)17-21-20-16(24-17)9-8-15(22)19-12-18(23)10-2-3-11-18/h4-7,23H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyFLCUTJCNTATJPF-UHFFFAOYSA-N
XLogP2.40
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18165181
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-[(1R,2R)-2-methylcyclohexyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9084484
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
N-[3-(cyclopropylmethoxy)propyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18120975
N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
N-(1,1-dioxothiolan-3-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18109683

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 111332905) is N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCC3(O)CCCC3)o2)cc1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is FLCUTJCNTATJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-6-14(7-5-13)17-21-20-16(24-17)9-8-15(22)19-12-18(23)10-2-3-11-18/h4-7,23H,2-3,8-12H2,1H3,(H,19,22).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 111332905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).