(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C19H23N5O3 — CID 126423573

IUPAC(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc([C@@H]2CCCN(C(=O)NCc3nc4ccccc4o3)C2)n1
InChIInChI=1S/C19H23N5O3/c1-12(2)17-22-18(27-23-17)13-6-5-9-24(11-13)19(25)20-10-16-21-14-7-3-4-8-15(14)26-16/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,25)/t13-/m1/s1
InChIKeyDEDQTPLUGYBFNZ-CYBMUJFWSA-N
MW369.43 g/mol
LogP3.42
Rot. Bonds4

About (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 126423573) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID126423573
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc([C@@H]2CCCN(C(=O)NCc3nc4ccccc4o3)C2)n1
InChIInChI=1S/C19H23N5O3/c1-12(2)17-22-18(27-23-17)13-6-5-9-24(11-13)19(25)20-10-16-21-14-7-3-4-8-15(14)26-16/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,25)/t13-/m1/s1
InChIKeyDEDQTPLUGYBFNZ-CYBMUJFWSA-N
XLogP3.42
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126439178
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
(3R)-N-(2-phenylpyrazol-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 97436373
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 97270078
3-(1,3-benzoxazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 71893273
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
4-[2-oxo-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 29151106
5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 99945566
N-(8-methylquinolin-5-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118766209
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione
CID 97274319

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 126423573) is (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(C)c1noc([C@@H]2CCCN(C(=O)NCc3nc4ccccc4o3)C2)n1.
What is the InChIKey of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is DEDQTPLUGYBFNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(2)17-22-18(27-23-17)13-6-5-9-24(11-13)19(25)20-10-16-21-14-7-3-4-8-15(14)26-16/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,20,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126423573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).