5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid

C14H18N4O3 — CID 122054008

IUPAC5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCCC(CC)c1cc(CNc2cnc(C(=O)O)cn2)on1
InChIInChI=1S/C14H18N4O3/c1-3-9(4-2)11-5-10(21-18-11)6-16-13-8-15-12(7-17-13)14(19)20/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyPWQTWSYHSDZNEQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.68
Rot. Bonds7

About 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid

5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054008) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122054008
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCCC(CC)c1cc(CNc2cnc(C(=O)O)cn2)on1
InChIInChI=1S/C14H18N4O3/c1-3-9(4-2)11-5-10(21-18-11)6-16-13-8-15-12(7-17-13)14(19)20/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyPWQTWSYHSDZNEQ-UHFFFAOYSA-N
XLogP2.68
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
2-amino-3-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]pentanamide;hydrochloride
CID 119804379
3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
CID 71997313
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177
1-(2-chloro-3-pyridinyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989228
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
2-(3-pentan-3-yl-1,2-oxazol-5-yl)ethanol
CID 65017758
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989910
2,2-dimethyl-N-[2-[[N'-methyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111676454

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid (CID 122054008) is 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid is CCC(CC)c1cc(CNc2cnc(C(=O)O)cn2)on1.
What is the InChIKey of 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is PWQTWSYHSDZNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-9(4-2)11-5-10(21-18-11)6-16-13-8-15-12(7-17-13)14(19)20/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid?
5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).