N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide

C15H21N5O3 — CID 97406044

IUPACN,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCc1nc2c(o1)CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H21N5O3/c1-18(2)15(21)10-22-9-14-17-12-7-20(8-13(12)23-14)6-11-4-16-19(3)5-11/h4-5H,6-10H2,1-3H3
InChIKeyPBGFKOBNFLEGPB-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.53
Rot. Bonds6

About N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide

N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide (PubChem CID 97406044) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide
PubChem CID97406044
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCc1nc2c(o1)CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H21N5O3/c1-18(2)15(21)10-22-9-14-17-12-7-20(8-13(12)23-14)6-11-4-16-19(3)5-11/h4-5H,6-10H2,1-3H3
InChIKeyPBGFKOBNFLEGPB-UHFFFAOYSA-N
XLogP0.53
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide (CID 97406044) is N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide is CN(C)C(=O)COCc1nc2c(o1)CN(Cc1cnn(C)c1)C2.
What is the InChIKey of N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide?
The InChIKey is PBGFKOBNFLEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-18(2)15(21)10-22-9-14-17-12-7-20(8-13(12)23-14)6-11-4-16-19(3)5-11/h4-5H,6-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide?
N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide has a molecular weight of 319.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methoxy]acetamide is sourced from PubChem (CID 97406044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).