(5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H17ClN4O3S — CID 94641828

IUPAC(5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C17H17ClN4O3S/c18-15-4-3-14(26-15)12-10-13(25-21-12)17(23)20-11-2-1-5-19-16(11)22-6-8-24-9-7-22/h1-5,13H,6-10H2,(H,20,23)/t13-/m1/s1
InChIKeySWRBEGVMDHHCAO-CYBMUJFWSA-N
MW392.87 g/mol
LogP2.76
Rot. Bonds4

About (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 94641828) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID94641828
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name(5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C17H17ClN4O3S/c18-15-4-3-14(26-15)12-10-13(25-21-12)17(23)20-11-2-1-5-19-16(11)22-6-8-24-9-7-22/h1-5,13H,6-10H2,(H,20,23)/t13-/m1/s1
InChIKeySWRBEGVMDHHCAO-CYBMUJFWSA-N
XLogP2.76
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 94641828) is (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cccnc1N1CCOCC1)[C@H]1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SWRBEGVMDHHCAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-15-4-3-14(26-15)12-10-13(25-21-12)17(23)20-11-2-1-5-19-16(11)22-6-8-24-9-7-22/h1-5,13H,6-10H2,(H,20,23)/t13-/m1/s1.
What are the key properties of (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 392.87 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94641828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).