N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C22H25N5O3 — CID 55522516

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H25N5O3/c28-20(6-7-21-25-22(26-30-21)18-8-10-23-11-9-18)24-14-19-16-27(12-13-29-19)15-17-4-2-1-3-5-17/h1-5,8-11,19H,6-7,12-16H2,(H,24,28)
InChIKeyNTCMFWVOJHCHHZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.08
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55522516) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55522516
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H25N5O3/c28-20(6-7-21-25-22(26-30-21)18-8-10-23-11-9-18)24-14-19-16-27(12-13-29-19)15-17-4-2-1-3-5-17/h1-5,8-11,19H,6-7,12-16H2,(H,24,28)
InChIKeyNTCMFWVOJHCHHZ-UHFFFAOYSA-N
XLogP2.08
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55522516) is N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NTCMFWVOJHCHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-20(6-7-21-25-22(26-30-21)18-8-10-23-11-9-18)24-14-19-16-27(12-13-29-19)15-17-4-2-1-3-5-17/h1-5,8-11,19H,6-7,12-16H2,(H,24,28).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 407.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55522516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).