N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C16H21N5O3 — CID 56899502

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn3c(n2)CNCC3)on1
InChIInChI=1S/C16H21N5O3/c1-10-4-12(24-20-10)5-11-8-23-9-14(11)19-16(22)13-7-21-3-2-17-6-15(21)18-13/h4,7,11,14,17H,2-3,5-6,8-9H2,1H3,(H,19,22)/t11-,14+/m1/s1
InChIKeyNXVUPIRWHKXSIA-RISCZKNCSA-N
MW331.38 g/mol
LogP0.27
Rot. Bonds4

About N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56899502) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56899502
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn3c(n2)CNCC3)on1
InChIInChI=1S/C16H21N5O3/c1-10-4-12(24-20-10)5-11-8-23-9-14(11)19-16(22)13-7-21-3-2-17-6-15(21)18-13/h4,7,11,14,17H,2-3,5-6,8-9H2,1H3,(H,19,22)/t11-,14+/m1/s1
InChIKeyNXVUPIRWHKXSIA-RISCZKNCSA-N
XLogP0.27
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
5-acetyl-2,4-dimethyl-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 133134089
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
CID 72870120
3-(azocan-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
CID 72860647
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72870218
5-acetyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]thiophene-3-carboxamide
CID 72891636
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 72906146
2-amino-4-ethyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 72899403
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-indazole-3-carboxamide
CID 72933641
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 137247143

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56899502) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cn3c(n2)CNCC3)on1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is NXVUPIRWHKXSIA-RISCZKNCSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-4-12(24-20-10)5-11-8-23-9-14(11)19-16(22)13-7-21-3-2-17-6-15(21)18-13/h4,7,11,14,17H,2-3,5-6,8-9H2,1H3,(H,19,22)/t11-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).