3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide

C16H21N5O3S — CID 138384779

IUPAC3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1csc(N2CCCC2)n1)c1cc(N2CCOCC2)no1
InChIInChI=1S/C16H21N5O3S/c22-15(13-9-14(19-24-13)20-5-7-23-8-6-20)17-10-12-11-25-16(18-12)21-3-1-2-4-21/h9,11H,1-8,10H2,(H,17,22)
InChIKeyOIRHDAYIQCUXIC-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.50
Rot. Bonds5

About 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide

3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 138384779) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID138384779
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1csc(N2CCCC2)n1)c1cc(N2CCOCC2)no1
InChIInChI=1S/C16H21N5O3S/c22-15(13-9-14(19-24-13)20-5-7-23-8-6-20)17-10-12-11-25-16(18-12)21-3-1-2-4-21/h9,11H,1-8,10H2,(H,17,22)
InChIKeyOIRHDAYIQCUXIC-UHFFFAOYSA-N
XLogP1.50
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
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N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
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2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91760407
N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138387134
2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 74231803
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
CID 162634908
2-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72840477

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide (CID 138384779) is 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1csc(N2CCCC2)n1)c1cc(N2CCOCC2)no1.
What is the InChIKey of 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OIRHDAYIQCUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c22-15(13-9-14(19-24-13)20-5-7-23-8-6-20)17-10-12-11-25-16(18-12)21-3-1-2-4-21/h9,11H,1-8,10H2,(H,17,22).
What are the key properties of 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide?
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 138384779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).