[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

C19H23N5O2 — CID 154856315

IUPAC[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CC(Nc2nc3ccccc3o2)CC(C)(C)C1
InChIInChI=1S/C19H23N5O2/c1-12-16(21-11-20-12)17(25)24-9-13(8-19(2,3)10-24)22-18-23-14-6-4-5-7-15(14)26-18/h4-7,11,13H,8-10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyKAWAUBGRCUGABW-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.21
Rot. Bonds3

About [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone (PubChem CID 154856315) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
PubChem CID154856315
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1CC(Nc2nc3ccccc3o2)CC(C)(C)C1
InChIInChI=1S/C19H23N5O2/c1-12-16(21-11-20-12)17(25)24-9-13(8-19(2,3)10-24)22-18-23-14-6-4-5-7-15(14)26-18/h4-7,11,13H,8-10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyKAWAUBGRCUGABW-UHFFFAOYSA-N
XLogP3.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 134503214
5-[3-(1,3-benzoxazol-2-ylamino)cyclobutyl]-7,7-dimethylpyrrolo[2,3-b]pyrazin-6-one
CID 86694287
[(3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 154850271
tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
[(3R)-3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 126746495
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
CID 115563724
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
CID 133342194
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
CID 86999034

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone (CID 154856315) is [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone is Cc1[nH]cnc1C(=O)N1CC(Nc2nc3ccccc3o2)CC(C)(C)C1.
What is the InChIKey of [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The InChIKey is KAWAUBGRCUGABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-16(21-11-20-12)17(25)24-9-13(8-19(2,3)10-24)22-18-23-14-6-4-5-7-15(14)26-18/h4-7,11,13H,8-10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
[5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzoxazol-2-ylamino)-3,3-dimethylpiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 154856315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).