N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

C12H18N2O4 — CID 114951605

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H18N2O4/c1-9-10(18-8-13-9)11(15)14(2)7-12(16)3-5-17-6-4-12/h8,16H,3-7H2,1-2H3
InChIKeyDXANJACVUZIRLK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.60
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114951605) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114951605
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H18N2O4/c1-9-10(18-8-13-9)11(15)14(2)7-12(16)3-5-17-6-4-12/h8,16H,3-7H2,1-2H3
InChIKeyDXANJACVUZIRLK-UHFFFAOYSA-N
XLogP0.60
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 114951604
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124998894
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110123556
5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377151
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
CID 114951654
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114951605) is N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is DXANJACVUZIRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9-10(18-8-13-9)11(15)14(2)7-12(16)3-5-17-6-4-12/h8,16H,3-7H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114951605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).