cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen

C23H26N6O2 — CID 169143797

IUPACcyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen
SMILESO=C(C1CC1)N1CCC(c2cccc(-c3onc4ccc(C5=NNNN5)cc34)c2)CC1.[H][H]
InChIInChI=1S/C23H24N6O2.H2/c30-23(15-4-5-15)29-10-8-14(9-11-29)16-2-1-3-17(12-16)21-19-13-18(22-24-27-28-25-22)6-7-20(19)26-31-21;/h1-3,6-7,12-15,27-28H,4-5,8-11H2,(H,24,25);1H
InChIKeyLNFODHIEYMYLFZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.13
Rot. Bonds4

About cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen

cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen (PubChem CID 169143797) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Namecyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen
PubChem CID169143797
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Namecyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen
SMILESO=C(C1CC1)N1CCC(c2cccc(-c3onc4ccc(C5=NNNN5)cc34)c2)CC1.[H][H]
InChIInChI=1S/C23H24N6O2.H2/c30-23(15-4-5-15)29-10-8-14(9-11-29)16-2-1-3-17(12-16)21-19-13-18(22-24-27-28-25-22)6-7-20(19)26-31-21;/h1-3,6-7,12-15,27-28H,4-5,8-11H2,(H,24,25);1H
InChIKeyLNFODHIEYMYLFZ-UHFFFAOYSA-N
XLogP3.13
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,N'-diamino-3-[3-[1-(3-methyloxetane-3-carbonyl)piperidin-4-yl]phenyl]-2,1-benzoxazole-5-carboximidamide;molecular hydrogen
CID 169143894
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
1-[4-[3-(cyclohexen-1-yl)phenyl]piperidin-1-yl]ethanone
CID 141166525
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728
2-[4-(3-cyclobutylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 163925345
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
3,5-diphenyl-2,1-benzoxazole
CID 15446367
[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 22575651
N-(5-chloro-2-pyridinyl)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidine-4-carboxamide
CID 55931661

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen?
The IUPAC name of cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen (CID 169143797) is cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen.
What is the SMILES notation for cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen?
The canonical SMILES for cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen is O=C(C1CC1)N1CCC(c2cccc(-c3onc4ccc(C5=NNNN5)cc34)c2)CC1.[H][H].
What is the InChIKey of cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen?
The InChIKey is LNFODHIEYMYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.H2/c30-23(15-4-5-15)29-10-8-14(9-11-29)16-2-1-3-17(12-16)21-19-13-18(22-24-27-28-25-22)6-7-20(19)26-31-21;/h1-3,6-7,12-15,27-28H,4-5,8-11H2,(H,24,25);1H.
What are the key properties of cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen?
cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen has a molecular weight of 418.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-[5-(2,3-dihydro-1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]piperidin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 169143797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).