N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C16H22N4O3 — CID 91761841

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)no1
InChIInChI=1S/C16H22N4O3/c1-9(2)14-6-13(19-23-14)16(22)18-15(10-4-12(21)5-10)11-7-17-20(3)8-11/h6-10,12,15,21H,4-5H2,1-3H3,(H,18,22)
InChIKeyMNNXJBNIJQXUEY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.77
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 91761841) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID91761841
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)no1
InChIInChI=1S/C16H22N4O3/c1-9(2)14-6-13(19-23-14)16(22)18-15(10-4-12(21)5-10)11-7-17-20(3)8-11/h6-10,12,15,21H,4-5H2,1-3H3,(H,18,22)
InChIKeyMNNXJBNIJQXUEY-UHFFFAOYSA-N
XLogP1.77
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91797284
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 91791981
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 91772963
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 91793399
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 91760718

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 91761841) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC(c2cnn(C)c2)C2CC(O)C2)no1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MNNXJBNIJQXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9(2)14-6-13(19-23-14)16(22)18-15(10-4-12(21)5-10)11-7-17-20(3)8-11/h6-10,12,15,21H,4-5H2,1-3H3,(H,18,22).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91761841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).