3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid

C21H18N2O5 — CID 171338405

IUPAC3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(NC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C21H18N2O5/c24-19(25)10-9-13-11-22-20(28-13)23-21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,18H,9-10,12H2,(H,24,25)(H,22,23,26)
InChIKeyDOJXNTGXDNXSFV-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.05
Rot. Bonds6

About 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid

3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 171338405) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid
PubChem CID171338405
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(NC(=O)OCC2c3ccccc3-c3ccccc32)o1
InChIInChI=1S/C21H18N2O5/c24-19(25)10-9-13-11-22-20(28-13)23-21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,18H,9-10,12H2,(H,24,25)(H,22,23,26)
InChIKeyDOJXNTGXDNXSFV-UHFFFAOYSA-N
XLogP4.05
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylphenyl]propanoic acid
CID 154810049
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluoro-2-hydroxyphenyl]propanoic acid
CID 154810103
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
3-(9H-fluoren-9-ylmethoxycarbonylcarbamoylamino)propanoic acid
CID 58223908
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluorophenyl]butanoic acid
CID 154780161
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid (CID 171338405) is 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid is O=C(O)CCc1cnc(NC(=O)OCC2c3ccccc3-c3ccccc32)o1.
What is the InChIKey of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is DOJXNTGXDNXSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-19(25)10-9-13-11-22-20(28-13)23-21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11,18H,9-10,12H2,(H,24,25)(H,22,23,26).
What are the key properties of 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid?
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 378.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 171338405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).