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

C13H16N4O3 — CID 127712798

IUPACN-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1(CO)CC1
InChIInChI=1S/C13H16N4O3/c1-8-10(11(19)16-13(7-18)3-4-13)15-12(20-8)9-5-14-17(2)6-9/h5-6,18H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyORLXKHADTMHJJJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.64
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 127712798) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID127712798
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)NC1(CO)CC1
InChIInChI=1S/C13H16N4O3/c1-8-10(11(19)16-13(7-18)3-4-13)15-12(20-8)9-5-14-17(2)6-9/h5-6,18H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyORLXKHADTMHJJJ-UHFFFAOYSA-N
XLogP0.64
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 127712798) is N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is ORLXKHADTMHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-10(11(19)16-13(7-18)3-4-13)15-12(20-8)9-5-14-17(2)6-9/h5-6,18H,3-4,7H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 127712798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).