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

C14H15N3O3 — CID 111445679

IUPACN-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C14H15N3O3/c18-13(16-9-14(19)4-2-5-14)11-7-12(20-17-11)10-3-1-6-15-8-10/h1,3,6-8,19H,2,4-5,9H2,(H,16,18)
InChIKeyLORBCQURWDMCOH-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.38
Rot. Bonds4

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

N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 111445679) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID111445679
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C14H15N3O3/c18-13(16-9-14(19)4-2-5-14)11-7-12(20-17-11)10-3-1-6-15-8-10/h1,3,6-8,19H,2,4-5,9H2,(H,16,18)
InChIKeyLORBCQURWDMCOH-UHFFFAOYSA-N
XLogP1.38
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 111538994
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 146464367
N-[(2-nitrophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 87004911

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 111445679) is N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCC1(O)CCC1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LORBCQURWDMCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(16-9-14(19)4-2-5-14)11-7-12(20-17-11)10-3-1-6-15-8-10/h1,3,6-8,19H,2,4-5,9H2,(H,16,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111445679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).