N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C16H18N6O3 — CID 129327413

IUPACN-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1noc([C@@H](NC(=O)c2cn3cccnc3n2)C2CCOCC2)n1
InChIInChI=1S/C16H18N6O3/c1-10-18-15(25-21-10)13(11-3-7-24-8-4-11)20-14(23)12-9-22-6-2-5-17-16(22)19-12/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyTUNCXAIQWYSGFG-ZDUSSCGKSA-N
MW342.36 g/mol
LogP1.32
Rot. Bonds4

About N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 129327413) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID129327413
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1noc([C@@H](NC(=O)c2cn3cccnc3n2)C2CCOCC2)n1
InChIInChI=1S/C16H18N6O3/c1-10-18-15(25-21-10)13(11-3-7-24-8-4-11)20-14(23)12-9-22-6-2-5-17-16(22)19-12/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyTUNCXAIQWYSGFG-ZDUSSCGKSA-N
XLogP1.32
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 128987864
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 125445797
2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
CID 129326419
5-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 128987859
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
CID 128966227
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-indole-4-carboxamide
CID 128973960
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75479772
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
N-[1-(1-adamantyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75363348
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
(2S)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 129329834
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128977865

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 129327413) is N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1noc([C@@H](NC(=O)c2cn3cccnc3n2)C2CCOCC2)n1.
What is the InChIKey of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is TUNCXAIQWYSGFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-10-18-15(25-21-10)13(11-3-7-24-8-4-11)20-14(23)12-9-22-6-2-5-17-16(22)19-12/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 129327413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).