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

C19H31N5O — CID 71928375

IUPACN-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCCc3cnn(C)c3)C2)o1
InChIInChI=1S/C19H31N5O/c1-15(2)18-11-20-19(25-18)14-22(3)17-7-9-24(13-17)8-5-6-16-10-21-23(4)12-16/h10-12,15,17H,5-9,13-14H2,1-4H3
InChIKeyWODIWRRPADCNMQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.67
Rot. Bonds8

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

N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928375) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928375
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC(C)c1cnc(CN(C)C2CCN(CCCc3cnn(C)c3)C2)o1
InChIInChI=1S/C19H31N5O/c1-15(2)18-11-20-19(25-18)14-22(3)17-7-9-24(13-17)8-5-6-16-10-21-23(4)12-16/h10-12,15,17H,5-9,13-14H2,1-4H3
InChIKeyWODIWRRPADCNMQ-UHFFFAOYSA-N
XLogP2.67
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928375) is N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is CC(C)c1cnc(CN(C)C2CCN(CCCc3cnn(C)c3)C2)o1.
What is the InChIKey of N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WODIWRRPADCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15(2)18-11-20-19(25-18)14-22(3)17-7-9-24(13-17)8-5-6-16-10-21-23(4)12-16/h10-12,15,17H,5-9,13-14H2,1-4H3.
What are the key properties of N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 345.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).