5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide

C19H19ClN4O3 — CID 29149512

IUPAC5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C[C@@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1
InChIInChI=1S/C19H19ClN4O3/c1-12-4-3-5-15(22-12)6-13(2)23-19(25)18-8-17(27-24-18)11-26-16-7-14(20)9-21-10-16/h3-5,7-10,13H,6,11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyBNRNXKGMWNOGOK-CYBMUJFWSA-N
MW386.84 g/mol
LogP3.37
Rot. Bonds7

About 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 29149512) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID29149512
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C[C@@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1
InChIInChI=1S/C19H19ClN4O3/c1-12-4-3-5-15(22-12)6-13(2)23-19(25)18-8-17(27-24-18)11-26-16-7-14(20)9-21-10-16/h3-5,7-10,13H,6,11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyBNRNXKGMWNOGOK-CYBMUJFWSA-N
XLogP3.37
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 29149512) is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cccc(C[C@@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is BNRNXKGMWNOGOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-12-4-3-5-15(22-12)6-13(2)23-19(25)18-8-17(27-24-18)11-26-16-7-14(20)9-21-10-16/h3-5,7-10,13H,6,11H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide?
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29149512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).