N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C19H17N5O3 — CID 28685485

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1cc(CNc2ccc(-c3nc(COc4ccccc4)no3)cn2)no1
InChIInChI=1S/C19H17N5O3/c1-13-9-15(23-26-13)11-21-17-8-7-14(10-20-17)19-22-18(24-27-19)12-25-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyZINOHTOPNMJLAZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.62
Rot. Bonds7

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 28685485) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID28685485
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1cc(CNc2ccc(-c3nc(COc4ccccc4)no3)cn2)no1
InChIInChI=1S/C19H17N5O3/c1-13-9-15(23-26-13)11-21-17-8-7-14(10-20-17)19-22-18(24-27-19)12-25-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyZINOHTOPNMJLAZ-UHFFFAOYSA-N
XLogP3.62
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 26409598
N-(oxan-2-ylmethyl)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45196290
N-[[(2S)-oxan-2-yl]methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25385689
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 95716077

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 28685485) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Cc1cc(CNc2ccc(-c3nc(COc4ccccc4)no3)cn2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is ZINOHTOPNMJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13-9-15(23-26-13)11-21-17-8-7-14(10-20-17)19-22-18(24-27-19)12-25-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 363.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 28685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).