5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide

C19H17ClN4O3 — CID 16757106

IUPAC5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1Cl
InChIInChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
InChIKeyQRBGHYWWUNTFCH-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide

5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 16757106) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID16757106
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1Cl
InChIInChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
InChIKeyQRBGHYWWUNTFCH-UHFFFAOYSA-N
XLogP3.48
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 16757106) is 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1Cl.
What is the InChIKey of 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is QRBGHYWWUNTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25).
What are the key properties of 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide?
5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16757106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).