3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide

C16H19N5O3 — CID 72877148

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C16H19N5O3/c1-11-15(12(2)20-19-11)3-4-16(22)21(5-13-7-23-9-17-13)6-14-8-24-10-18-14/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeyUSQUAWBHZQQRQU-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.16
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide (PubChem CID 72877148) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
PubChem CID72877148
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C16H19N5O3/c1-11-15(12(2)20-19-11)3-4-16(22)21(5-13-7-23-9-17-13)6-14-8-24-10-18-14/h7-10H,3-6H2,1-2H3,(H,19,20)
InChIKeyUSQUAWBHZQQRQU-UHFFFAOYSA-N
XLogP2.16
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide (CID 72877148) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide is Cc1n[nH]c(C)c1CCC(=O)N(Cc1cocn1)Cc1cocn1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide?
The InChIKey is USQUAWBHZQQRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-15(12(2)20-19-11)3-4-16(22)21(5-13-7-23-9-17-13)6-14-8-24-10-18-14/h7-10H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide has a molecular weight of 329.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide is sourced from PubChem (CID 72877148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).