2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline

C19H25N5O2 — CID 142337965

IUPAC2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline
SMILES[H]/N=C/c1ccc(-c2noc(N3CCC4(CCO4)CC3)n2)cc1NC(C)C
InChIInChI=1S/C19H25N5O2/c1-13(2)21-16-11-14(3-4-15(16)12-20)17-22-18(26-23-17)24-8-5-19(6-9-24)7-10-25-19/h3-4,11-13,20-21H,5-10H2,1-2H3/b20-12+
InChIKeyKNQHEOCCRSMLFH-UDWIEESQSA-N
MW355.44 g/mol
LogP3.31
Rot. Bonds5

About 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline

2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline (PubChem CID 142337965) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline
PubChem CID142337965
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline
SMILES[H]/N=C/c1ccc(-c2noc(N3CCC4(CCO4)CC3)n2)cc1NC(C)C
InChIInChI=1S/C19H25N5O2/c1-13(2)21-16-11-14(3-4-15(16)12-20)17-22-18(26-23-17)24-8-5-19(6-9-24)7-10-25-19/h3-4,11-13,20-21H,5-10H2,1-2H3/b20-12+
InChIKeyKNQHEOCCRSMLFH-UDWIEESQSA-N
XLogP3.31
TPSA87.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 142338267
(2-fluorophenyl)-[4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 134478135
N-[2-[3,3-difluoro-4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478140
5-[3-(3-chloro-5,6,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazin-7-yl)-1,2,4-oxadiazol-5-yl]-2-methanimidoyl-N-propan-2-ylaniline
CID 142520873
methyl 4-[3-[3-(difluoromethylamino)-4-methanimidoylphenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439726
3-cyano-N-[2-[4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478623
8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 20881449
N-[2-methanimidoyl-5-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-1,1-dioxothietan-3-amine
CID 153382529
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
ethane;4-methanimidoyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 177244096
[2-(oxetan-3-ylamino)-4-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)phenyl]methylideneazanium
CID 142338172
3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
CID 167823383

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline?
The IUPAC name of 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline (CID 142337965) is 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline.
What is the SMILES notation for 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline?
The canonical SMILES for 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline is [H]/N=C/c1ccc(-c2noc(N3CCC4(CCO4)CC3)n2)cc1NC(C)C.
What is the InChIKey of 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline?
The InChIKey is KNQHEOCCRSMLFH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)21-16-11-14(3-4-15(16)12-20)17-22-18(26-23-17)24-8-5-19(6-9-24)7-10-25-19/h3-4,11-13,20-21H,5-10H2,1-2H3/b20-12+.
What are the key properties of 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline?
2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline has a molecular weight of 355.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5-[5-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylaniline is sourced from PubChem (CID 142337965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).