N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide

C17H21N5O2 — CID 120955970

IUPACN-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESCN1CCNCC1c1noc(-c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C17H21N5O2/c1-22-9-8-18-10-14(22)15-20-17(24-21-15)12-4-6-13(7-5-12)19-16(23)11-2-3-11/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,23)
InChIKeyRVWQZKIORWRVOC-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.66
Rot. Bonds4

About N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide

N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide (PubChem CID 120955970) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide
PubChem CID120955970
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESCN1CCNCC1c1noc(-c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C17H21N5O2/c1-22-9-8-18-10-14(22)15-20-17(24-21-15)12-4-6-13(7-5-12)19-16(23)11-2-3-11/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,23)
InChIKeyRVWQZKIORWRVOC-UHFFFAOYSA-N
XLogP1.66
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea
CID 120960485
[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
CID 120957411
1,1-dimethyl-3-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 120958743
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
N-tert-butyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120960291
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960636
N-[2-fluoro-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methylbutanamide
CID 120961469
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
3-(1-methylpiperazin-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120960614

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide (CID 120955970) is N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide is CN1CCNCC1c1noc(-c2ccc(NC(=O)C3CC3)cc2)n1.
What is the InChIKey of N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is RVWQZKIORWRVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22-9-8-18-10-14(22)15-20-17(24-21-15)12-4-6-13(7-5-12)19-16(23)11-2-3-11/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,23).
What are the key properties of N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide?
N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 120955970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).