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

C16H19N5O2 — CID 135116476

IUPACN-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
SMILESCC(C)c1nnc(CN(C)Cc2cc(-c3ccccn3)no2)o1
InChIInChI=1S/C16H19N5O2/c1-11(2)16-19-18-15(22-16)10-21(3)9-12-8-14(20-23-12)13-6-4-5-7-17-13/h4-8,11H,9-10H2,1-3H3
InChIKeyPZZYLPIPNBNFAW-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.88
Rot. Bonds6

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

N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 135116476) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
PubChem CID135116476
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
SMILESCC(C)c1nnc(CN(C)Cc2cc(-c3ccccn3)no2)o1
InChIInChI=1S/C16H19N5O2/c1-11(2)16-19-18-15(22-16)10-21(3)9-12-8-14(20-23-12)13-6-4-5-7-17-13/h4-8,11H,9-10H2,1-3H3
InChIKeyPZZYLPIPNBNFAW-UHFFFAOYSA-N
XLogP2.88
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine with MolForge

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Related Compounds

N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 91841578
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72871521
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
N-methyl-1-(5-pyrazolidin-3-ylthiophen-2-yl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 133108043
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171686507
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
1-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethanamine
CID 82404680

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine (CID 135116476) is N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine is CC(C)c1nnc(CN(C)Cc2cc(-c3ccccn3)no2)o1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is PZZYLPIPNBNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(2)16-19-18-15(22-16)10-21(3)9-12-8-14(20-23-12)13-6-4-5-7-17-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 313.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 135116476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).