N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide

C23H27ClN4O3 — CID 140933987

IUPACN-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
SMILESCOC1C(c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C23H27ClN4O3/c1-23(2)20(30-3)19(27-31-23)15-8-10-16(11-9-15)22(29)28(17-6-4-12-25-14-17)21-18(24)7-5-13-26-21/h5,7-11,13,17,20,25H,4,6,12,14H2,1-3H3
InChIKeyOFQGKJUXWJWINW-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.66
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide

N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide (PubChem CID 140933987) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
PubChem CID140933987
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC NameN-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
SMILESCOC1C(c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C23H27ClN4O3/c1-23(2)20(30-3)19(27-31-23)15-8-10-16(11-9-15)22(29)28(17-6-4-12-25-14-17)21-18(24)7-5-13-26-21/h5,7-11,13,17,20,25H,4,6,12,14H2,1-3H3
InChIKeyOFQGKJUXWJWINW-UHFFFAOYSA-N
XLogP3.66
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide (CID 140933987) is N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide is COC1C(c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)=NOC1(C)C.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
The InChIKey is OFQGKJUXWJWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-23(2)20(30-3)19(27-31-23)15-8-10-16(11-9-15)22(29)28(17-6-4-12-25-14-17)21-18(24)7-5-13-26-21/h5,7-11,13,17,20,25H,4,6,12,14H2,1-3H3.
What are the key properties of N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide has a molecular weight of 442.95 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 140933987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).