N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

C16H25N5O — CID 71928397

IUPACN-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1
InChIInChI=1S/C16H25N5O/c1-13-8-17-16(22-13)12-19(2)15-5-7-21(11-15)6-4-14-9-18-20(3)10-14/h8-10,15H,4-7,11-12H2,1-3H3
InChIKeyQIKFMBLRYZZTKJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.47
Rot. Bonds6

About N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine

N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 71928397) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID71928397
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1
InChIInChI=1S/C16H25N5O/c1-13-8-17-16(22-13)12-19(2)15-5-7-21(11-15)6-4-14-9-18-20(3)10-14/h8-10,15H,4-7,11-12H2,1-3H3
InChIKeyQIKFMBLRYZZTKJ-UHFFFAOYSA-N
XLogP1.47
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine (CID 71928397) is N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is Cc1cnc(CN(C)C2CCN(CCc3cnn(C)c3)C2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is QIKFMBLRYZZTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-8-17-16(22-13)12-19(2)15-5-7-21(11-15)6-4-14-9-18-20(3)10-14/h8-10,15H,4-7,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine?
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 303.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).